(3R)-3-(trifluoromethyl)cycloheptene

C8H11F3 — CID 162401442

IUPAC(3R)-3-(trifluoromethyl)cycloheptene
SMILESFC(F)(F)[C@H]1C=CCCCC1
InChIInChI=1S/C8H11F3/c9-8(10,11)7-5-3-1-2-4-6-7/h3,5,7H,1-2,4,6H2/t7-/m0/s1
InChIKeyQFRBBROXVHOUNF-ZETCQYMHSA-N
MW164.17 g/mol
LogP3.30
Rot. Bonds

About (3R)-3-(trifluoromethyl)cycloheptene

(3R)-3-(trifluoromethyl)cycloheptene (PubChem CID 162401442) has the molecular formula C8H11F3 and a molecular weight of 164.17 g/mol. Its IUPAC name is (3R)-3-(trifluoromethyl)cycloheptene.

Molecular Properties

Compound Name(3R)-3-(trifluoromethyl)cycloheptene
PubChem CID162401442
Molecular FormulaC8H11F3
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name(3R)-3-(trifluoromethyl)cycloheptene
SMILESFC(F)(F)[C@H]1C=CCCCC1
InChIInChI=1S/C8H11F3/c9-8(10,11)7-5-3-1-2-4-6-7/h3,5,7H,1-2,4,6H2/t7-/m0/s1
InChIKeyQFRBBROXVHOUNF-ZETCQYMHSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-8-(trifluoromethyl)tetradec-6-ene
CID 101032788
[(E)-3,3,3-Trifluoro-1-propenyl]cyclohexane
CID 10487552
3-(Trifluoromethyl)cyclohexene
CID 15104043
(3R)-3-(trifluoromethyl)cyclohexene
CID 155430875
3-Methylcycloheptene
CID 524409
(E)-1-Cyclohexyl-4,4,4-trifluoro-1-butene
CID 71814106
[(E)-3,3-difluoroprop-1-enyl]cyclohexane
CID 134945748
8,9-Bis(difluoromethylidene)bicyclo[3.2.2]nona-2,6-diene
CID 134964338
(E,8S)-8-(trifluoromethyl)tetradec-6-ene
CID 162401663
6-Butyl-3,3-difluorocyclohepta-1,4-diene
CID 85646714
3-(1,1,1,3,3,3-Hexafluoropropan-2-yl)cyclohex-1-ene
CID 129319154
3-(3,3,3-Trifluoroprop-1-en-2-yl)cyclohexene
CID 14295660

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(trifluoromethyl)cycloheptene?
The IUPAC name of (3R)-3-(trifluoromethyl)cycloheptene (CID 162401442) is (3R)-3-(trifluoromethyl)cycloheptene.
What is the SMILES notation for (3R)-3-(trifluoromethyl)cycloheptene?
The canonical SMILES for (3R)-3-(trifluoromethyl)cycloheptene is FC(F)(F)[C@H]1C=CCCCC1.
What is the InChIKey of (3R)-3-(trifluoromethyl)cycloheptene?
The InChIKey is QFRBBROXVHOUNF-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H11F3/c9-8(10,11)7-5-3-1-2-4-6-7/h3,5,7H,1-2,4,6H2/t7-/m0/s1.
What are the key properties of (3R)-3-(trifluoromethyl)cycloheptene?
(3R)-3-(trifluoromethyl)cycloheptene has a molecular weight of 164.17 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(trifluoromethyl)cycloheptene is sourced from PubChem (CID 162401442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).