(3-ethyl-2,6-difluorocyclohexa-2,4-dien-1-yl)methanol

C9H12F2O — CID 123977269

IUPAC(3-ethyl-2,6-difluorocyclohexa-2,4-dien-1-yl)methanol
SMILESCCC1=C(F)C(CO)C(F)C=C1
InChIInChI=1S/C9H12F2O/c1-2-6-3-4-8(10)7(5-12)9(6)11/h3-4,7-8,12H,2,5H2,1H3
InChIKeyHFTUKIAPKPIBLL-UHFFFAOYSA-N
MW174.19 g/mol
LogP2.14
Rot. Bonds2

About (3-ethyl-2,6-difluorocyclohexa-2,4-dien-1-yl)methanol

(3-ethyl-2,6-difluorocyclohexa-2,4-dien-1-yl)methanol (PubChem CID 123977269) has the molecular formula C9H12F2O and a molecular weight of 174.19 g/mol. Its IUPAC name is (3-ethyl-2,6-difluorocyclohexa-2,4-dien-1-yl)methanol.

Molecular Properties

Compound Name(3-ethyl-2,6-difluorocyclohexa-2,4-dien-1-yl)methanol
PubChem CID123977269
Molecular FormulaC9H12F2O
Molecular Weight174.19 g/mol
Exact Mass174.09
IUPAC Name(3-ethyl-2,6-difluorocyclohexa-2,4-dien-1-yl)methanol
SMILESCCC1=C(F)C(CO)C(F)C=C1
InChIInChI=1S/C9H12F2O/c1-2-6-3-4-8(10)7(5-12)9(6)11/h3-4,7-8,12H,2,5H2,1H3
InChIKeyHFTUKIAPKPIBLL-UHFFFAOYSA-N
XLogP2.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,3E)-5-methyl-2-prop-1-en-2-ylhexa-3,5-dien-1-ol
CID 162915795
Cyclohexa-2,4-dienylmethanol
CID 556313
5-Methyl-2-prop-1-en-2-ylhexa-3,5-dien-1-ol
CID 78385142
p-Difluorobenzene-methanol
CID 69050621
(4E)-3,7-dimethylocta-4,6-dien-1-ol
CID 15267831
2,2-Bis(trifluoromethyl)benzylalcohol
CID 129699640
(4E)-2,7-dimethylocta-4,6-dien-1-ol
CID 14865537
(2-Methyl-2,4-cyclohexadien-1-yl)methanol
CID 15174764
2-Cyclohexa-1,5-dien-1-ylethanol
CID 21943307
Dihydro cuminyl alcohol
CID 56924101
(2R)-1-(4-fluorocyclohexa-1,5-dien-1-yl)propan-2-ol
CID 67765367
(4-Fluorocyclohexa-2,4-dien-1-yl)methanol
CID 68029248

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2,6-difluorocyclohexa-2,4-dien-1-yl)methanol?
The IUPAC name of (3-ethyl-2,6-difluorocyclohexa-2,4-dien-1-yl)methanol (CID 123977269) is (3-ethyl-2,6-difluorocyclohexa-2,4-dien-1-yl)methanol.
What is the SMILES notation for (3-ethyl-2,6-difluorocyclohexa-2,4-dien-1-yl)methanol?
The canonical SMILES for (3-ethyl-2,6-difluorocyclohexa-2,4-dien-1-yl)methanol is CCC1=C(F)C(CO)C(F)C=C1.
What is the InChIKey of (3-ethyl-2,6-difluorocyclohexa-2,4-dien-1-yl)methanol?
The InChIKey is HFTUKIAPKPIBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2O/c1-2-6-3-4-8(10)7(5-12)9(6)11/h3-4,7-8,12H,2,5H2,1H3.
What are the key properties of (3-ethyl-2,6-difluorocyclohexa-2,4-dien-1-yl)methanol?
(3-ethyl-2,6-difluorocyclohexa-2,4-dien-1-yl)methanol has a molecular weight of 174.19 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2,6-difluorocyclohexa-2,4-dien-1-yl)methanol is sourced from PubChem (CID 123977269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).