2-[(1S)-6,6-difluorocyclohexa-2,4-dien-1-yl]ethanol

C8H10F2O — CID 141411641

IUPAC2-[(1S)-6,6-difluorocyclohexa-2,4-dien-1-yl]ethanol
SMILESOCC[C@H]1C=CC=CC1(F)F
InChIInChI=1S/C8H10F2O/c9-8(10)5-2-1-3-7(8)4-6-11/h1-3,5,7,11H,4,6H2/t7-/m1/s1
InChIKeyNFNCFNYWUQFZMN-SSDOTTSWSA-N
MW160.16 g/mol
LogP1.75
Rot. Bonds2

About 2-[(1S)-6,6-difluorocyclohexa-2,4-dien-1-yl]ethanol

2-[(1S)-6,6-difluorocyclohexa-2,4-dien-1-yl]ethanol (PubChem CID 141411641) has the molecular formula C8H10F2O and a molecular weight of 160.16 g/mol. Its IUPAC name is 2-[(1S)-6,6-difluorocyclohexa-2,4-dien-1-yl]ethanol.

Molecular Properties

Compound Name2-[(1S)-6,6-difluorocyclohexa-2,4-dien-1-yl]ethanol
PubChem CID141411641
Molecular FormulaC8H10F2O
Molecular Weight160.16 g/mol
Exact Mass160.07
IUPAC Name2-[(1S)-6,6-difluorocyclohexa-2,4-dien-1-yl]ethanol
SMILESOCC[C@H]1C=CC=CC1(F)F
InChIInChI=1S/C8H10F2O/c9-8(10)5-2-1-3-7(8)4-6-11/h1-3,5,7,11H,4,6H2/t7-/m1/s1
InChIKeyNFNCFNYWUQFZMN-SSDOTTSWSA-N
XLogP1.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.16
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,5,6-trifluorocyclohexa-1,3-diene
CID 22125476
6-ethyl-5-fluoro-5-methylcyclohexa-1,3-diene
CID 139457511
[4-[2-(6,6-difluorocyclohexa-2,4-dien-1-yl)ethylcarbamoyl]-2-fluorophenyl]boronic acid
CID 172746463
6,6-difluorocyclohexa-2,4-diene-1-thiol
CID 151883715
6-bromo-5,5-difluorocyclohexa-1,3-diene
CID 154291804
2-chloro-1-[(1R)-6,6-difluorocyclohexa-2,4-dien-1-yl]ethanone
CID 97303738
[(1R,6R)-6-chloro-6-methoxycyclohexa-2,4-dien-1-yl]methanol
CID 97304763
[(1S,6S)-6-chloro-6-methoxycyclohexa-2,4-dien-1-yl]methanol
CID 97304764
2-[4-(2-hydroxyethyl)cyclohexa-2,5-dien-1-yl]ethanol
CID 101087121
(1-methyl-6-propylcyclohexa-2,4-dien-1-yl)methanol
CID 175761556
6,6-difluorocyclohexa-2,4-diene-1-carboxamide
CID 150573434
2-[(1R,6R)-6-methoxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetonitrile
CID 97170427

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-6,6-difluorocyclohexa-2,4-dien-1-yl]ethanol?
The IUPAC name of 2-[(1S)-6,6-difluorocyclohexa-2,4-dien-1-yl]ethanol (CID 141411641) is 2-[(1S)-6,6-difluorocyclohexa-2,4-dien-1-yl]ethanol.
What is the SMILES notation for 2-[(1S)-6,6-difluorocyclohexa-2,4-dien-1-yl]ethanol?
The canonical SMILES for 2-[(1S)-6,6-difluorocyclohexa-2,4-dien-1-yl]ethanol is OCC[C@H]1C=CC=CC1(F)F.
What is the InChIKey of 2-[(1S)-6,6-difluorocyclohexa-2,4-dien-1-yl]ethanol?
The InChIKey is NFNCFNYWUQFZMN-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H10F2O/c9-8(10)5-2-1-3-7(8)4-6-11/h1-3,5,7,11H,4,6H2/t7-/m1/s1.
What are the key properties of 2-[(1S)-6,6-difluorocyclohexa-2,4-dien-1-yl]ethanol?
2-[(1S)-6,6-difluorocyclohexa-2,4-dien-1-yl]ethanol has a molecular weight of 160.16 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-6,6-difluorocyclohexa-2,4-dien-1-yl]ethanol is sourced from PubChem (CID 141411641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).