[2-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]cyclopropyl]methanol

C11H13F3O — CID 91331914

IUPAC[2-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]cyclopropyl]methanol
SMILESOCC1CC1C1=CCC(C(F)(F)F)C=C1
InChIInChI=1S/C11H13F3O/c12-11(13,14)9-3-1-7(2-4-9)10-5-8(10)6-15/h1-3,8-10,15H,4-6H2
InChIKeyPIDXJMUGDMIADV-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.68
Rot. Bonds2

About [2-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]cyclopropyl]methanol

[2-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]cyclopropyl]methanol (PubChem CID 91331914) has the molecular formula C11H13F3O and a molecular weight of 218.22 g/mol. Its IUPAC name is [2-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]cyclopropyl]methanol.

Molecular Properties

Compound Name[2-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]cyclopropyl]methanol
PubChem CID91331914
Molecular FormulaC11H13F3O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name[2-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]cyclopropyl]methanol
SMILESOCC1CC1C1=CCC(C(F)(F)F)C=C1
InChIInChI=1S/C11H13F3O/c12-11(13,14)9-3-1-7(2-4-9)10-5-8(10)6-15/h1-3,8-10,15H,4-6H2
InChIKeyPIDXJMUGDMIADV-UHFFFAOYSA-N
XLogP2.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[6-Fluoro-4-(trifluoromethyl)cyclohex-3-en-1-yl]methanol
CID 68199971
[6-(Trifluoromethyl)cyclohex-3-en-1-yl]methanol
CID 68199983
[4-(Trifluoromethyl)cyclohex-3-en-1-yl]methanol
CID 68199990
[5,6-Difluoro-4-(trifluoromethyl)cyclohex-3-en-1-yl]methanol
CID 68213058
[3-(Difluoromethyl)-6-fluorocyclohex-3-en-1-yl]methanol
CID 68213325
[3-[(3E)-8,8-difluoroocta-1,3-dien-4-yl]cyclohex-3-en-1-yl]methanol
CID 88884757
[2-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol
CID 90075760
1-[2-Cyclopropyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethenol
CID 117860656
4-[4-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]pentan-1-ol
CID 123210225
[3-[Cyclopropyl(difluoro)methyl]cyclohexa-2,4-dien-1-yl]methanol
CID 123645852
2-(4-Fluoro-6-methylcyclohexa-1,3-dien-1-yl)ethanol
CID 123677277
[5-Cyclopropyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanol
CID 134549371

Frequently Asked Questions

What is the IUPAC name of [2-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]cyclopropyl]methanol?
The IUPAC name of [2-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]cyclopropyl]methanol (CID 91331914) is [2-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]cyclopropyl]methanol.
What is the SMILES notation for [2-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]cyclopropyl]methanol?
The canonical SMILES for [2-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]cyclopropyl]methanol is OCC1CC1C1=CCC(C(F)(F)F)C=C1.
What is the InChIKey of [2-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]cyclopropyl]methanol?
The InChIKey is PIDXJMUGDMIADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O/c12-11(13,14)9-3-1-7(2-4-9)10-5-8(10)6-15/h1-3,8-10,15H,4-6H2.
What are the key properties of [2-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]cyclopropyl]methanol?
[2-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]cyclopropyl]methanol has a molecular weight of 218.22 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]cyclopropyl]methanol is sourced from PubChem (CID 91331914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).