1-[(E)-prop-1-enyl]-4-(trifluoromethoxy)cyclohexane

C10H15F3O — CID 163936003

IUPAC1-[(E)-prop-1-enyl]-4-(trifluoromethoxy)cyclohexane
SMILESC/C=C/C1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C10H15F3O/c1-2-3-8-4-6-9(7-5-8)14-10(11,12)13/h2-3,8-9H,4-7H2,1H3/b3-2+
InChIKeyRMVZXJMKBRMZOI-NSCUHMNNSA-N
MW208.22 g/mol
LogP3.66
Rot. Bonds2

About 1-[(E)-prop-1-enyl]-4-(trifluoromethoxy)cyclohexane

1-[(E)-prop-1-enyl]-4-(trifluoromethoxy)cyclohexane (PubChem CID 163936003) has the molecular formula C10H15F3O and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-[(E)-prop-1-enyl]-4-(trifluoromethoxy)cyclohexane.

Molecular Properties

Compound Name1-[(E)-prop-1-enyl]-4-(trifluoromethoxy)cyclohexane
PubChem CID163936003
Molecular FormulaC10H15F3O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name1-[(E)-prop-1-enyl]-4-(trifluoromethoxy)cyclohexane
SMILESC/C=C/C1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C10H15F3O/c1-2-3-8-4-6-9(7-5-8)14-10(11,12)13/h2-3,8-9H,4-7H2,1H3/b3-2+
InChIKeyRMVZXJMKBRMZOI-NSCUHMNNSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(1-But-2-ynoxy-2,2,2-trifluoroethyl)cyclohexene
CID 86077598
2,3-Difluoro-1-methyl-4-pent-4-enoxycyclohexane
CID 68216997
1-Ethenyl-4-(trifluoromethoxy)cyclohexane
CID 68248263
4-Ethenyl-2-fluoro-1-(trifluoromethoxy)cyclohexane
CID 68264061
2,3-Difluoro-1-methoxy-4-(4-methylcyclohexen-1-yl)cyclohexane
CID 69623227
2,3-Difluoro-1-methyl-4-pent-2-enoxycyclohexane
CID 71099919
5-Ethenyl-1,3-difluoro-2-(trifluoromethoxy)cyclohexane
CID 89312058
(4S)-2,3-difluoro-1-methoxy-4-(4-methylcyclohexen-1-yl)cyclohexane
CID 117805455
1-methoxy-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]cyclohexane
CID 117946200
1-Ethenyl-4-(fluoromethoxy)cyclohexane
CID 122534241
2,3-difluoro-1-methoxy-4-[(E)-4-propylhept-5-enyl]cyclohexane
CID 122550207
1-Methoxy-4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexane
CID 123145633

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-prop-1-enyl]-4-(trifluoromethoxy)cyclohexane?
The IUPAC name of 1-[(E)-prop-1-enyl]-4-(trifluoromethoxy)cyclohexane (CID 163936003) is 1-[(E)-prop-1-enyl]-4-(trifluoromethoxy)cyclohexane.
What is the SMILES notation for 1-[(E)-prop-1-enyl]-4-(trifluoromethoxy)cyclohexane?
The canonical SMILES for 1-[(E)-prop-1-enyl]-4-(trifluoromethoxy)cyclohexane is C/C=C/C1CCC(OC(F)(F)F)CC1.
What is the InChIKey of 1-[(E)-prop-1-enyl]-4-(trifluoromethoxy)cyclohexane?
The InChIKey is RMVZXJMKBRMZOI-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H15F3O/c1-2-3-8-4-6-9(7-5-8)14-10(11,12)13/h2-3,8-9H,4-7H2,1H3/b3-2+.
What are the key properties of 1-[(E)-prop-1-enyl]-4-(trifluoromethoxy)cyclohexane?
1-[(E)-prop-1-enyl]-4-(trifluoromethoxy)cyclohexane has a molecular weight of 208.22 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-prop-1-enyl]-4-(trifluoromethoxy)cyclohexane is sourced from PubChem (CID 163936003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).