1,1-difluoro-3-[(4-methylcyclohexyl)methylamino]propan-2-ol

C11H21F2NO — CID 103872936

IUPAC1,1-difluoro-3-[(4-methylcyclohexyl)methylamino]propan-2-ol
SMILESCC1CCC(CNCC(O)C(F)F)CC1
InChIInChI=1S/C11H21F2NO/c1-8-2-4-9(5-3-8)6-14-7-10(15)11(12)13/h8-11,14-15H,2-7H2,1H3
InChIKeyPGXAYKGYIQQWTQ-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.03
Rot. Bonds5

About 1,1-difluoro-3-[(4-methylcyclohexyl)methylamino]propan-2-ol

1,1-difluoro-3-[(4-methylcyclohexyl)methylamino]propan-2-ol (PubChem CID 103872936) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 1,1-difluoro-3-[(4-methylcyclohexyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[(4-methylcyclohexyl)methylamino]propan-2-ol
PubChem CID103872936
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name1,1-difluoro-3-[(4-methylcyclohexyl)methylamino]propan-2-ol
SMILESCC1CCC(CNCC(O)C(F)F)CC1
InChIInChI=1S/C11H21F2NO/c1-8-2-4-9(5-3-8)6-14-7-10(15)11(12)13/h8-11,14-15H,2-7H2,1H3
InChIKeyPGXAYKGYIQQWTQ-UHFFFAOYSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Methyl-cyclohexylamino)-propan-2-ol
CID 3151936
(2S)-1-(dimethylamino)-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 99784563
2-[(4,4-Difluoro-cyclohexylmethyl)-amino]-ethanol
CID 67152047
2-[(3,3-Difluorocyclohexyl)methylamino]ethanol
CID 68729593
3-[(4-Fluorocyclohexyl)methylamino]butan-2-ol
CID 89729225
1,1,1-Trifluoro-3-(6-methyloctylamino)propan-2-ol
CID 89935850
(2R)-1,1,1-trifluoro-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 126558146
CID 4712667
CID 4712667
cyclohexylmethyl-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]azanium
CID 7153079
(2S)-3-(cyclohexylmethylamino)-1,1,1-trifluoropropan-2-ol
CID 7153080
cyclohexylmethyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium
CID 7153088
(2R)-3-(cyclohexylmethylamino)-1,1,1-trifluoropropan-2-ol
CID 7153089

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[(4-methylcyclohexyl)methylamino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[(4-methylcyclohexyl)methylamino]propan-2-ol (CID 103872936) is 1,1-difluoro-3-[(4-methylcyclohexyl)methylamino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[(4-methylcyclohexyl)methylamino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[(4-methylcyclohexyl)methylamino]propan-2-ol is CC1CCC(CNCC(O)C(F)F)CC1.
What is the InChIKey of 1,1-difluoro-3-[(4-methylcyclohexyl)methylamino]propan-2-ol?
The InChIKey is PGXAYKGYIQQWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-8-2-4-9(5-3-8)6-14-7-10(15)11(12)13/h8-11,14-15H,2-7H2,1H3.
What are the key properties of 1,1-difluoro-3-[(4-methylcyclohexyl)methylamino]propan-2-ol?
1,1-difluoro-3-[(4-methylcyclohexyl)methylamino]propan-2-ol has a molecular weight of 221.29 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[(4-methylcyclohexyl)methylamino]propan-2-ol is sourced from PubChem (CID 103872936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).