[3-[cyclopropyl(difluoro)methyl]cyclohexa-2,4-dien-1-yl]methanol

C11H14F2O — CID 123645852

IUPAC[3-[cyclopropyl(difluoro)methyl]cyclohexa-2,4-dien-1-yl]methanol
SMILESOCC1C=C(C(F)(F)C2CC2)C=CC1
InChIInChI=1S/C11H14F2O/c12-11(13,9-4-5-9)10-3-1-2-8(6-10)7-14/h1,3,6,8-9,14H,2,4-5,7H2
InChIKeyZLSUFVPONIAVAW-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.53
Rot. Bonds3

About [3-[cyclopropyl(difluoro)methyl]cyclohexa-2,4-dien-1-yl]methanol

[3-[cyclopropyl(difluoro)methyl]cyclohexa-2,4-dien-1-yl]methanol (PubChem CID 123645852) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is [3-[cyclopropyl(difluoro)methyl]cyclohexa-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[3-[cyclopropyl(difluoro)methyl]cyclohexa-2,4-dien-1-yl]methanol
PubChem CID123645852
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name[3-[cyclopropyl(difluoro)methyl]cyclohexa-2,4-dien-1-yl]methanol
SMILESOCC1C=C(C(F)(F)C2CC2)C=CC1
InChIInChI=1S/C11H14F2O/c12-11(13,9-4-5-9)10-3-1-2-8(6-10)7-14/h1,3,6,8-9,14H,2,4-5,7H2
InChIKeyZLSUFVPONIAVAW-UHFFFAOYSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol
CID 90075760
[2-[4-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]cyclopropyl]methanol
CID 91331914
[2-Fluoro-4-(fluoromethyl)cyclohexa-2,4-dien-1-yl]methanol
CID 117808356
[(1S)-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol
CID 117808377
10,10,10-Trifluoro-3-methylidenedec-4-en-1-ol
CID 123426715
(3-Ethyl-2,6-difluorocyclohexa-2,4-dien-1-yl)methanol
CID 123977269
[4-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol
CID 141833896
2-(3,4,5-Trifluorocyclohexa-1,3-dien-1-yl)propan-1-ol
CID 143987869
Ethane;[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol
CID 144020186
[3-Cyclopropyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol
CID 148958924
1-[5-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanol
CID 154515690
3-[4-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-1-ol
CID 162545095

Frequently Asked Questions

What is the IUPAC name of [3-[cyclopropyl(difluoro)methyl]cyclohexa-2,4-dien-1-yl]methanol?
The IUPAC name of [3-[cyclopropyl(difluoro)methyl]cyclohexa-2,4-dien-1-yl]methanol (CID 123645852) is [3-[cyclopropyl(difluoro)methyl]cyclohexa-2,4-dien-1-yl]methanol.
What is the SMILES notation for [3-[cyclopropyl(difluoro)methyl]cyclohexa-2,4-dien-1-yl]methanol?
The canonical SMILES for [3-[cyclopropyl(difluoro)methyl]cyclohexa-2,4-dien-1-yl]methanol is OCC1C=C(C(F)(F)C2CC2)C=CC1.
What is the InChIKey of [3-[cyclopropyl(difluoro)methyl]cyclohexa-2,4-dien-1-yl]methanol?
The InChIKey is ZLSUFVPONIAVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c12-11(13,9-4-5-9)10-3-1-2-8(6-10)7-14/h1,3,6,8-9,14H,2,4-5,7H2.
What are the key properties of [3-[cyclopropyl(difluoro)methyl]cyclohexa-2,4-dien-1-yl]methanol?
[3-[cyclopropyl(difluoro)methyl]cyclohexa-2,4-dien-1-yl]methanol has a molecular weight of 200.23 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[cyclopropyl(difluoro)methyl]cyclohexa-2,4-dien-1-yl]methanol is sourced from PubChem (CID 123645852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).