1-(3,3-difluorocyclohexyl)-2-methylheptan-2-ol

C14H26F2O — CID 114224511

IUPAC1-(3,3-difluorocyclohexyl)-2-methylheptan-2-ol
SMILESCCCCCC(C)(O)CC1CCCC(F)(F)C1
InChIInChI=1S/C14H26F2O/c1-3-4-5-8-13(2,17)10-12-7-6-9-14(15,16)11-12/h12,17H,3-11H2,1-2H3
InChIKeyMZNGATPIGHWGAM-UHFFFAOYSA-N
MW248.36 g/mol
LogP4.53
Rot. Bonds6

About 1-(3,3-difluorocyclohexyl)-2-methylheptan-2-ol

1-(3,3-difluorocyclohexyl)-2-methylheptan-2-ol (PubChem CID 114224511) has the molecular formula C14H26F2O and a molecular weight of 248.36 g/mol. Its IUPAC name is 1-(3,3-difluorocyclohexyl)-2-methylheptan-2-ol.

Molecular Properties

Compound Name1-(3,3-difluorocyclohexyl)-2-methylheptan-2-ol
PubChem CID114224511
Molecular FormulaC14H26F2O
Molecular Weight248.36 g/mol
Exact Mass248.20
IUPAC Name1-(3,3-difluorocyclohexyl)-2-methylheptan-2-ol
SMILESCCCCCC(C)(O)CC1CCCC(F)(F)C1
InChIInChI=1S/C14H26F2O/c1-3-4-5-8-13(2,17)10-12-7-6-9-14(15,16)11-12/h12,17H,3-11H2,1-2H3
InChIKeyMZNGATPIGHWGAM-UHFFFAOYSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-amino-2-[(3,3-difluorocyclohexyl)methyl]-3,3-dimethylbutan-2-ol
CID 114224520
1-cyclopentyl-3-methyloctan-3-ol
CID 142057645
4-[(3,3-difluorocyclohexyl)methyl]-4-fluoro-5-methoxypentan-1-amine
CID 114225527
1-(3,3-difluorocyclopentyl)-2-methylpropan-2-ol
CID 130487394
2-[(3,3-difluorocyclopentyl)methyl]-2-ethylhexan-1-ol
CID 114225416
5-[(3,3-difluorocyclohexyl)methylamino]-4,4-dimethylpentan-1-ol
CID 114224006
3-[(3,3-difluorocyclopentyl)methyl]-3-hydroxy-2,2-dimethylpentanoic acid
CID 123297799
1-(3,3-difluorocyclohexyl)-3-methylheptan-2-amine
CID 114246637
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
13-methylheptacosan-13-ol
CID 87343529
2-(aminomethyl)-2-[(3,3-difluorocyclohexyl)methyl]-3-methylbutanoic acid
CID 114226085
N-[(3,3-difluorocyclohexyl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 114223711

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclohexyl)-2-methylheptan-2-ol?
The IUPAC name of 1-(3,3-difluorocyclohexyl)-2-methylheptan-2-ol (CID 114224511) is 1-(3,3-difluorocyclohexyl)-2-methylheptan-2-ol.
What is the SMILES notation for 1-(3,3-difluorocyclohexyl)-2-methylheptan-2-ol?
The canonical SMILES for 1-(3,3-difluorocyclohexyl)-2-methylheptan-2-ol is CCCCCC(C)(O)CC1CCCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclohexyl)-2-methylheptan-2-ol?
The InChIKey is MZNGATPIGHWGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2O/c1-3-4-5-8-13(2,17)10-12-7-6-9-14(15,16)11-12/h12,17H,3-11H2,1-2H3.
What are the key properties of 1-(3,3-difluorocyclohexyl)-2-methylheptan-2-ol?
1-(3,3-difluorocyclohexyl)-2-methylheptan-2-ol has a molecular weight of 248.36 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclohexyl)-2-methylheptan-2-ol is sourced from PubChem (CID 114224511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).