(2,3,4,5,6-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)methanol

C8H7F5O — CID 70672909

IUPAC(2,3,4,5,6-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)methanol
SMILESCC1(F)C(F)=C(F)C(F)=C(F)C1CO
InChIInChI=1S/C8H7F5O/c1-8(13)3(2-14)4(9)5(10)6(11)7(8)12/h3,14H,2H2,1H3
InChIKeyYXDMGTLESLRNRI-UHFFFAOYSA-N
MW214.13 g/mol
LogP2.64
Rot. Bonds1

About (2,3,4,5,6-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)methanol

(2,3,4,5,6-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)methanol (PubChem CID 70672909) has the molecular formula C8H7F5O and a molecular weight of 214.13 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)methanol.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)methanol
PubChem CID70672909
Molecular FormulaC8H7F5O
Molecular Weight214.13 g/mol
Exact Mass214.04
IUPAC Name(2,3,4,5,6-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)methanol
SMILESCC1(F)C(F)=C(F)C(F)=C(F)C1CO
InChIInChI=1S/C8H7F5O/c1-8(13)3(2-14)4(9)5(10)6(11)7(8)12/h3,14H,2H2,1H3
InChIKeyYXDMGTLESLRNRI-UHFFFAOYSA-N
XLogP2.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.13
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4,5,6-hexafluorocyclohexa-2,4-dien-1-ol
CID 175095832
tetrakis(1,2,3,4,5-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)boranuide
CID 174225846
(4R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
CID 66795801
2,3,5,6-tetrafluoro-3,4-dimethylcyclohexa-1,5-diene-1-thiol
CID 21245995
[4-(hydroxymethyl)-2,3,4-trimethylcyclobut-2-en-1-yl]methanol
CID 130146503
(2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol
CID 57267196
4-(bromomethyl)-2,3,5,6-tetrafluoro-1-methylcyclohexa-2,4-diene-1-carboxylic acid
CID 69458354
(4R)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyloxolan-3-ol
CID 68979706
[(1S,4aR,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol
CID 7478989
(4aS,8aS)-1-(hydroxymethyl)-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-one
CID 14433373
(2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol
CID 118591755
CID 87157763
CID 87157763

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)methanol?
The IUPAC name of (2,3,4,5,6-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)methanol (CID 70672909) is (2,3,4,5,6-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)methanol.
What is the SMILES notation for (2,3,4,5,6-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)methanol?
The canonical SMILES for (2,3,4,5,6-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)methanol is CC1(F)C(F)=C(F)C(F)=C(F)C1CO.
What is the InChIKey of (2,3,4,5,6-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)methanol?
The InChIKey is YXDMGTLESLRNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F5O/c1-8(13)3(2-14)4(9)5(10)6(11)7(8)12/h3,14H,2H2,1H3.
What are the key properties of (2,3,4,5,6-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)methanol?
(2,3,4,5,6-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)methanol has a molecular weight of 214.13 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentafluoro-6-methylcyclohexa-2,4-dien-1-yl)methanol is sourced from PubChem (CID 70672909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).