6,6-difluoro-1-(trifluoromethyl)cyclohex-3-en-1-ol

C7H7F5O — CID 70960390

IUPAC6,6-difluoro-1-(trifluoromethyl)cyclohex-3-en-1-ol
SMILESOC1(C(F)(F)F)CC=CCC1(F)F
InChIInChI=1S/C7H7F5O/c8-6(9)4-2-1-3-5(6,13)7(10,11)12/h1-2,13H,3-4H2
InChIKeyHODQGHLOSWZSKV-UHFFFAOYSA-N
MW202.12 g/mol
LogP2.27
Rot. Bonds

About 6,6-difluoro-1-(trifluoromethyl)cyclohex-3-en-1-ol

6,6-difluoro-1-(trifluoromethyl)cyclohex-3-en-1-ol (PubChem CID 70960390) has the molecular formula C7H7F5O and a molecular weight of 202.12 g/mol. Its IUPAC name is 6,6-difluoro-1-(trifluoromethyl)cyclohex-3-en-1-ol.

Molecular Properties

Compound Name6,6-difluoro-1-(trifluoromethyl)cyclohex-3-en-1-ol
PubChem CID70960390
Molecular FormulaC7H7F5O
Molecular Weight202.12 g/mol
Exact Mass202.04
IUPAC Name6,6-difluoro-1-(trifluoromethyl)cyclohex-3-en-1-ol
SMILESOC1(C(F)(F)F)CC=CCC1(F)F
InChIInChI=1S/C7H7F5O/c8-6(9)4-2-1-3-5(6,13)7(10,11)12/h1-2,13H,3-4H2
InChIKeyHODQGHLOSWZSKV-UHFFFAOYSA-N
XLogP2.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.12
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

a-Trifluoromethyl-3-cyclohexenol
CID 66596130
2-Cyclopent-2-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 21062415
(6E)-7-cyclohexyl-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
CID 23591079
(6E)-7-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
CID 23591080
1,1,2,3,3-Pentafluoro-4-(trifluoromethyl)octa-1,7-dien-4-ol
CID 57588724
2-Cyclopent-2-en-1-yl-1,1,3,3-tetrafluoropropan-2-ol
CID 58705065
7-Cyclohexyl-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
CID 74067367
7-Cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
CID 74067368
2-Cyclohex-3-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 87065331
(E)-1,1,1,6,6,6-hexafluoro-2-(trifluoromethyl)hex-4-en-2-ol
CID 87955974
1,1,1,3,3,3-Hexafluoro-2-(1-fluorocyclohex-3-en-1-yl)propan-2-ol
CID 89138985
1,1,1,6,6,6-Hexafluoro-2-(trifluoromethyl)hex-4-en-2-ol
CID 91475394

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-1-(trifluoromethyl)cyclohex-3-en-1-ol?
The IUPAC name of 6,6-difluoro-1-(trifluoromethyl)cyclohex-3-en-1-ol (CID 70960390) is 6,6-difluoro-1-(trifluoromethyl)cyclohex-3-en-1-ol.
What is the SMILES notation for 6,6-difluoro-1-(trifluoromethyl)cyclohex-3-en-1-ol?
The canonical SMILES for 6,6-difluoro-1-(trifluoromethyl)cyclohex-3-en-1-ol is OC1(C(F)(F)F)CC=CCC1(F)F.
What is the InChIKey of 6,6-difluoro-1-(trifluoromethyl)cyclohex-3-en-1-ol?
The InChIKey is HODQGHLOSWZSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F5O/c8-6(9)4-2-1-3-5(6,13)7(10,11)12/h1-2,13H,3-4H2.
What are the key properties of 6,6-difluoro-1-(trifluoromethyl)cyclohex-3-en-1-ol?
6,6-difluoro-1-(trifluoromethyl)cyclohex-3-en-1-ol has a molecular weight of 202.12 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-1-(trifluoromethyl)cyclohex-3-en-1-ol is sourced from PubChem (CID 70960390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).