1-(2,6-difluorophenyl)-3-methylidenepentan-1-ol

C12H14F2O — CID 79522636

IUPAC1-(2,6-difluorophenyl)-3-methylidenepentan-1-ol
SMILESC=C(CC)CC(O)c1c(F)cccc1F
InChIInChI=1S/C12H14F2O/c1-3-8(2)7-11(15)12-9(13)5-4-6-10(12)14/h4-6,11,15H,2-3,7H2,1H3
InChIKeyXLTTWQZOSQZVPU-UHFFFAOYSA-N
MW212.24 g/mol
LogP3.35
Rot. Bonds4

About 1-(2,6-difluorophenyl)-3-methylidenepentan-1-ol

1-(2,6-difluorophenyl)-3-methylidenepentan-1-ol (PubChem CID 79522636) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-methylidenepentan-1-ol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-methylidenepentan-1-ol
PubChem CID79522636
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name1-(2,6-difluorophenyl)-3-methylidenepentan-1-ol
SMILESC=C(CC)CC(O)c1c(F)cccc1F
InChIInChI=1S/C12H14F2O/c1-3-8(2)7-11(15)12-9(13)5-4-6-10(12)14/h4-6,11,15H,2-3,7H2,1H3
InChIKeyXLTTWQZOSQZVPU-UHFFFAOYSA-N
XLogP3.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-6-fluorophenyl)-3-methylidenepentan-1-ol
CID 114885556
1-(2,6-difluorophenyl)-4-methylidenehexan-2-amine
CID 105005725
(1R)-1-(2,6-difluorophenyl)but-3-en-1-ol
CID 101125248
1-(4-fluoro-3-methoxyphenyl)-3-methylidenepentan-1-ol
CID 115817518
1-(3-fluoro-4-methoxyphenyl)-3-methylidenepentan-1-ol
CID 115817551
1-(2-fluorophenyl)-N-methyl-3-methylidenepentan-1-amine
CID 66037563
1-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol
CID 106285685
3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-1-ol
CID 115817570
1-(2,5-dichlorophenyl)-3-methylidenepentan-1-ol
CID 115817515
[1-(2,6-difluorophenyl)-3-methylbut-3-enyl]hydrazine
CID 105246729
1-(2-chlorofuran-3-yl)-3-methylidenepentan-1-ol
CID 106693858
1-(2,4-dichlorophenyl)-3-methylidenepentan-1-ol
CID 115817552

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-methylidenepentan-1-ol?
The IUPAC name of 1-(2,6-difluorophenyl)-3-methylidenepentan-1-ol (CID 79522636) is 1-(2,6-difluorophenyl)-3-methylidenepentan-1-ol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-methylidenepentan-1-ol?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-methylidenepentan-1-ol is C=C(CC)CC(O)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-methylidenepentan-1-ol?
The InChIKey is XLTTWQZOSQZVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O/c1-3-8(2)7-11(15)12-9(13)5-4-6-10(12)14/h4-6,11,15H,2-3,7H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-3-methylidenepentan-1-ol?
1-(2,6-difluorophenyl)-3-methylidenepentan-1-ol has a molecular weight of 212.24 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-methylidenepentan-1-ol is sourced from PubChem (CID 79522636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).