[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol

C8H9F3O — CID 171521759

IUPAC[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol
SMILESOCC1=C(C(F)(F)F)C=CCC1
InChIInChI=1S/C8H9F3O/c9-8(10,11)7-4-2-1-3-6(7)5-12/h2,4,12H,1,3,5H2
InChIKeyQFAMHYRONXDMIP-UHFFFAOYSA-N
MW178.15 g/mol
LogP2.19
Rot. Bonds1

About [2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol

[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol (PubChem CID 171521759) has the molecular formula C8H9F3O and a molecular weight of 178.15 g/mol. Its IUPAC name is [2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol.

Molecular Properties

Compound Name[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol
PubChem CID171521759
Molecular FormulaC8H9F3O
Molecular Weight178.15 g/mol
Exact Mass178.06
IUPAC Name[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol
SMILESOCC1=C(C(F)(F)F)C=CCC1
InChIInChI=1S/C8H9F3O/c9-8(10,11)7-4-2-1-3-6(7)5-12/h2,4,12H,1,3,5H2
InChIKeyQFAMHYRONXDMIP-UHFFFAOYSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(Trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 139242863
1,3-Cyclohexadiene-1-methanol
CID 11251975
2-(Trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 139242864
6-Methylidene-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 21257323
1-Cyclohexa-1,5-dien-1-yl-2,2,2-trifluoroethanol
CID 21886415
[4-(Trifluoromethyl)benzene-5-id-1-yl]methanol;yttrium
CID 59965094
(3,4,6-Trifluorocyclohexa-1,3-dien-1-yl)methanol
CID 68199891
(2,6-Difluorocyclohexa-1,3-dien-1-yl)methanol
CID 68213265
(2E)-5-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]hepta-2,6-dien-1-ol
CID 70254632
(2Z)-3-(trifluoromethyl)hepta-2,6-dien-1-ol
CID 88996205
[2-(Difluoromethyl)cyclohexa-1,5-dien-1-yl]methanol
CID 89022383
(2E)-3-(trifluoromethyl)hepta-2,6-dien-1-ol
CID 89037116

Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol?
The IUPAC name of [2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol (CID 171521759) is [2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol.
What is the SMILES notation for [2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol?
The canonical SMILES for [2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol is OCC1=C(C(F)(F)F)C=CCC1.
What is the InChIKey of [2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol?
The InChIKey is QFAMHYRONXDMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3O/c9-8(10,11)7-4-2-1-3-6(7)5-12/h2,4,12H,1,3,5H2.
What are the key properties of [2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol?
[2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol has a molecular weight of 178.15 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol is sourced from PubChem (CID 171521759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).