1,3-difluoro-2-[2-propyl-1-(trifluoromethoxy)cyclohexyl]naphthalene

C20H21F5O — CID 141001896

IUPAC1,3-difluoro-2-[2-propyl-1-(trifluoromethoxy)cyclohexyl]naphthalene
SMILESCCCC1CCCCC1(OC(F)(F)F)c1c(F)cc2ccccc2c1F
InChIInChI=1S/C20H21F5O/c1-2-7-14-9-5-6-11-19(14,26-20(23,24)25)17-16(21)12-13-8-3-4-10-15(13)18(17)22/h3-4,8,10,12,14H,2,5-7,9,11H2,1H3
InChIKeyBZFBBPIAXBQOME-UHFFFAOYSA-N
MW372.38 g/mol
LogP6.84
Rot. Bonds4

About 1,3-difluoro-2-[2-propyl-1-(trifluoromethoxy)cyclohexyl]naphthalene

1,3-difluoro-2-[2-propyl-1-(trifluoromethoxy)cyclohexyl]naphthalene (PubChem CID 141001896) has the molecular formula C20H21F5O and a molecular weight of 372.38 g/mol. Its IUPAC name is 1,3-difluoro-2-[2-propyl-1-(trifluoromethoxy)cyclohexyl]naphthalene.

Molecular Properties

Compound Name1,3-difluoro-2-[2-propyl-1-(trifluoromethoxy)cyclohexyl]naphthalene
PubChem CID141001896
Molecular FormulaC20H21F5O
Molecular Weight372.38 g/mol
Exact Mass372.15
IUPAC Name1,3-difluoro-2-[2-propyl-1-(trifluoromethoxy)cyclohexyl]naphthalene
SMILESCCCC1CCCCC1(OC(F)(F)F)c1c(F)cc2ccccc2c1F
InChIInChI=1S/C20H21F5O/c1-2-7-14-9-5-6-11-19(14,26-20(23,24)25)17-16(21)12-13-8-3-4-10-15(13)18(17)22/h3-4,8,10,12,14H,2,5-7,9,11H2,1H3
InChIKeyBZFBBPIAXBQOME-UHFFFAOYSA-N
XLogP6.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.38
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-difluoro-2-[2-pentyl-1-(trifluoromethoxy)cyclohexyl]naphthalene
CID 141001920
1-fluoro-2-[2-pentyl-1-(trifluoromethoxy)cyclohexyl]naphthalene
CID 141001907
2-[2-[1-(2-propylcyclohexyl)ethyl]-1-(trifluoromethoxy)cyclohexyl]naphthalene
CID 141001890
1,2,4,5-tetrafluoro-3-(4-phenylphenyl)-6-[1-[2-propyl-1-(trifluoromethoxy)cyclohexyl]propyl]benzene
CID 139711170
4-fluoro-2-(4-propylcyclohexyl)spiro[1,2-dihydrocyclopenta[b]naphthalene-3,2'-1,3-dithiane]
CID 58995735
1,2,4,5-tetrafluoro-3-[1-[2-pentyl-1-(trifluoromethoxy)cyclohexyl]propyl]-6-(4-phenylphenyl)benzene
CID 139711135
2-propylcyclohexane-1,1-diol
CID 19352764
1-[4-(2,6-difluorophenyl)-2,6-difluorophenyl]-4-propylcyclohexan-1-ol
CID 154489446
1-(naphthalen-1-ylmethyl)-2-propylcyclopropan-1-ol
CID 79333182
1-[1-(4-fluoronaphthalen-2-yl)cyclohexyl]-N,N-dimethylmethanamine
CID 69306980
1-[(2,3-difluorophenyl)methyl]-2-ethylcyclohexan-1-ol
CID 65149328
1-[1-[2-butyl-1-(trifluoromethyl)cyclohexyl]propyl]-2,3,5,6-tetrafluoro-4-(2-fluoro-4-phenylphenyl)benzene
CID 139711119

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-[2-propyl-1-(trifluoromethoxy)cyclohexyl]naphthalene?
The IUPAC name of 1,3-difluoro-2-[2-propyl-1-(trifluoromethoxy)cyclohexyl]naphthalene (CID 141001896) is 1,3-difluoro-2-[2-propyl-1-(trifluoromethoxy)cyclohexyl]naphthalene.
What is the SMILES notation for 1,3-difluoro-2-[2-propyl-1-(trifluoromethoxy)cyclohexyl]naphthalene?
The canonical SMILES for 1,3-difluoro-2-[2-propyl-1-(trifluoromethoxy)cyclohexyl]naphthalene is CCCC1CCCCC1(OC(F)(F)F)c1c(F)cc2ccccc2c1F.
What is the InChIKey of 1,3-difluoro-2-[2-propyl-1-(trifluoromethoxy)cyclohexyl]naphthalene?
The InChIKey is BZFBBPIAXBQOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F5O/c1-2-7-14-9-5-6-11-19(14,26-20(23,24)25)17-16(21)12-13-8-3-4-10-15(13)18(17)22/h3-4,8,10,12,14H,2,5-7,9,11H2,1H3.
What are the key properties of 1,3-difluoro-2-[2-propyl-1-(trifluoromethoxy)cyclohexyl]naphthalene?
1,3-difluoro-2-[2-propyl-1-(trifluoromethoxy)cyclohexyl]naphthalene has a molecular weight of 372.38 g/mol, XLogP of 6.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-[2-propyl-1-(trifluoromethoxy)cyclohexyl]naphthalene is sourced from PubChem (CID 141001896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).