2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C20H23F5O — CID 139865659

IUPAC2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESC=CCOC1CCC2CC(c3cc(F)c(C(F)(F)F)c(F)c3)CCC2C1
InChIInChI=1S/C20H23F5O/c1-2-7-26-16-6-5-12-8-13(3-4-14(12)9-16)15-10-17(21)19(18(22)11-15)20(23,24)25/h2,10-14,16H,1,3-9H2
InChIKeyOBENZMVNVYVWFK-UHFFFAOYSA-N
MW374.39 g/mol
LogP6.24
Rot. Bonds4

About 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 139865659) has the molecular formula C20H23F5O and a molecular weight of 374.39 g/mol. Its IUPAC name is 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID139865659
Molecular FormulaC20H23F5O
Molecular Weight374.39 g/mol
Exact Mass374.17
IUPAC Name2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESC=CCOC1CCC2CC(c3cc(F)c(C(F)(F)F)c(F)c3)CCC2C1
InChIInChI=1S/C20H23F5O/c1-2-7-26-16-6-5-12-8-13(3-4-14(12)9-16)15-10-17(21)19(18(22)11-15)20(23,24)25/h2,10-14,16H,1,3-9H2
InChIKeyOBENZMVNVYVWFK-UHFFFAOYSA-N
XLogP6.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.39
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-3,5-difluorophenyl)-6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139864864
2-prop-2-enoxy-6-[4-(trifluoromethyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139864740
2-ethyl-8-fluoro-6-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865355
2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]cyclohexyl]-6-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868571
1,3-difluoro-5-(4-prop-2-enylcyclohexyl)-2-(trifluoromethyl)benzene
CID 18658497
1,3-difluoro-5-[4-(4-pent-4-enylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene
CID 54517135
4-[6-[(E)-but-2-enoxy]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2,6-difluorobenzonitrile
CID 139865096
5,7-difluoro-2-methyl-6-(6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865574
(4aS,4bS,7R,8aR,10aS)-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 21032762
2-[(E)-but-2-enoxy]-6-(4-chloro-3-fluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139866077
2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3,5-difluorophenyl]-6-[(E)-pent-3-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139866848
5-(4-cyclohexylcyclohexyl)-1,3-difluoro-2-(trifluoromethyl)benzene
CID 162547060

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 139865659) is 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is C=CCOC1CCC2CC(c3cc(F)c(C(F)(F)F)c(F)c3)CCC2C1.
What is the InChIKey of 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is OBENZMVNVYVWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F5O/c1-2-7-26-16-6-5-12-8-13(3-4-14(12)9-16)15-10-17(21)19(18(22)11-15)20(23,24)25/h2,10-14,16H,1,3-9H2.
What are the key properties of 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 374.39 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-6-prop-2-enoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 139865659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).