[1-(propan-2-ylamino)-4-(trifluoromethyl)cyclohexyl]methanol

C11H20F3NO — CID 64754508

IUPAC[1-(propan-2-ylamino)-4-(trifluoromethyl)cyclohexyl]methanol
SMILESCC(C)NC1(CO)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-8(2)15-10(7-16)5-3-9(4-6-10)11(12,13)14/h8-9,15-16H,3-7H2,1-2H3
InChIKeyPRUTVXBBYDJOEY-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.47
Rot. Bonds3

About [1-(propan-2-ylamino)-4-(trifluoromethyl)cyclohexyl]methanol

[1-(propan-2-ylamino)-4-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 64754508) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is [1-(propan-2-ylamino)-4-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(propan-2-ylamino)-4-(trifluoromethyl)cyclohexyl]methanol
PubChem CID64754508
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name[1-(propan-2-ylamino)-4-(trifluoromethyl)cyclohexyl]methanol
SMILESCC(C)NC1(CO)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-8(2)15-10(7-16)5-3-9(4-6-10)11(12,13)14/h8-9,15-16H,3-7H2,1-2H3
InChIKeyPRUTVXBBYDJOEY-UHFFFAOYSA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-methoxyethylamino)-4-(trifluoromethyl)cyclohexyl]methanol
CID 64754706
[1-(benzylamino)-4-(trifluoromethyl)cyclohexyl]methanol
CID 64754496
[3-[methyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656766
[1-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)cyclopentyl]methanol
CID 82793798
[3-[methyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656362
[3-butan-2-ylsulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79646598
[1-(2-methoxyanilino)-4-(trifluoromethyl)cyclohexyl]methanol
CID 64754690
2-[[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]amino]ethanol
CID 65379525
[3-[2-methylpropyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656468
[3-[cyclopentylmethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656417
[3-methoxy-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640901
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propanoic acid
CID 62552009

Frequently Asked Questions

What is the IUPAC name of [1-(propan-2-ylamino)-4-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of [1-(propan-2-ylamino)-4-(trifluoromethyl)cyclohexyl]methanol (CID 64754508) is [1-(propan-2-ylamino)-4-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for [1-(propan-2-ylamino)-4-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for [1-(propan-2-ylamino)-4-(trifluoromethyl)cyclohexyl]methanol is CC(C)NC1(CO)CCC(C(F)(F)F)CC1.
What is the InChIKey of [1-(propan-2-ylamino)-4-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is PRUTVXBBYDJOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-8(2)15-10(7-16)5-3-9(4-6-10)11(12,13)14/h8-9,15-16H,3-7H2,1-2H3.
What are the key properties of [1-(propan-2-ylamino)-4-(trifluoromethyl)cyclohexyl]methanol?
[1-(propan-2-ylamino)-4-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 239.28 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(propan-2-ylamino)-4-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 64754508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).