3-[3-fluoropropyl(methyl)amino]-4,4-dimethylcyclohexan-1-ol

C12H24FNO — CID 165498582

IUPAC3-[3-fluoropropyl(methyl)amino]-4,4-dimethylcyclohexan-1-ol
SMILESCN(CCCF)C1CC(O)CCC1(C)C
InChIInChI=1S/C12H24FNO/c1-12(2)6-5-10(15)9-11(12)14(3)8-4-7-13/h10-11,15H,4-9H2,1-3H3
InChIKeyXHAUVOCBQVSGPE-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.22
Rot. Bonds4

About 3-[3-fluoropropyl(methyl)amino]-4,4-dimethylcyclohexan-1-ol

3-[3-fluoropropyl(methyl)amino]-4,4-dimethylcyclohexan-1-ol (PubChem CID 165498582) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is 3-[3-fluoropropyl(methyl)amino]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name3-[3-fluoropropyl(methyl)amino]-4,4-dimethylcyclohexan-1-ol
PubChem CID165498582
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name3-[3-fluoropropyl(methyl)amino]-4,4-dimethylcyclohexan-1-ol
SMILESCN(CCCF)C1CC(O)CCC1(C)C
InChIInChI=1S/C12H24FNO/c1-12(2)6-5-10(15)9-11(12)14(3)8-4-7-13/h10-11,15H,4-9H2,1-3H3
InChIKeyXHAUVOCBQVSGPE-UHFFFAOYSA-N
XLogP2.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[3-fluoropropyl(methyl)amino]-4,4-dimethylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[Tert-butyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490683
3-[Cyclopropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490687
3-[Cyclopropyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490688
3-[Methyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490689
3-(4-Methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490690
3-[Cyclopentyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490691
3-[Methyl(2-methylbutan-2-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490692
3-[(Propan-2-yl)(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490693
3-[(3-Methoxypropyl)(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490694
3-(4,4-Dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490696
3-[Cyclopropyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490697
3-[Tert-butyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490700

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoropropyl(methyl)amino]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 3-[3-fluoropropyl(methyl)amino]-4,4-dimethylcyclohexan-1-ol (CID 165498582) is 3-[3-fluoropropyl(methyl)amino]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 3-[3-fluoropropyl(methyl)amino]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 3-[3-fluoropropyl(methyl)amino]-4,4-dimethylcyclohexan-1-ol is CN(CCCF)C1CC(O)CCC1(C)C.
What is the InChIKey of 3-[3-fluoropropyl(methyl)amino]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is XHAUVOCBQVSGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO/c1-12(2)6-5-10(15)9-11(12)14(3)8-4-7-13/h10-11,15H,4-9H2,1-3H3.
What are the key properties of 3-[3-fluoropropyl(methyl)amino]-4,4-dimethylcyclohexan-1-ol?
3-[3-fluoropropyl(methyl)amino]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 217.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoropropyl(methyl)amino]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 165498582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).