1,1,1-trifluoro-3-[(3-methylcyclopentyl)methylamino]propan-2-ol

C10H18F3NO — CID 107412639

IUPAC1,1,1-trifluoro-3-[(3-methylcyclopentyl)methylamino]propan-2-ol
SMILESCC1CCC(CNCC(O)C(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-7-2-3-8(4-7)5-14-6-9(15)10(11,12)13/h7-9,14-15H,2-6H2,1H3
InChIKeyKSZAUHCLWDRWTD-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.94
Rot. Bonds4

About 1,1,1-trifluoro-3-[(3-methylcyclopentyl)methylamino]propan-2-ol

1,1,1-trifluoro-3-[(3-methylcyclopentyl)methylamino]propan-2-ol (PubChem CID 107412639) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(3-methylcyclopentyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(3-methylcyclopentyl)methylamino]propan-2-ol
PubChem CID107412639
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name1,1,1-trifluoro-3-[(3-methylcyclopentyl)methylamino]propan-2-ol
SMILESCC1CCC(CNCC(O)C(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-7-2-3-8(4-7)5-14-6-9(15)10(11,12)13/h7-9,14-15H,2-6H2,1H3
InChIKeyKSZAUHCLWDRWTD-UHFFFAOYSA-N
XLogP1.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-Trifluoro-3-(6-methyloctylamino)propan-2-ol
CID 89935850
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
1,1,1-Trifluoro-3-[(4-methylcyclohexyl)methylamino]propan-2-ol
CID 63899443
1,1,1-Trifluoro-3-[(2-methylcyclopentyl)amino]propan-2-ol
CID 63899444
1,1,1-Trifluoro-3-[(1-methylcyclopentyl)amino]propan-2-ol
CID 63900039
1,1,1-Trifluoro-3-[(1-methylcyclopentyl)methylamino]propan-2-ol
CID 63900050
3-(3-Ethylpentan-2-ylamino)-1,1,1-trifluoropropan-2-ol
CID 63900250
3-(2-Cyclopentylethylamino)-1,1,1-trifluoropropan-2-ol
CID 63900446

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(3-methylcyclopentyl)methylamino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(3-methylcyclopentyl)methylamino]propan-2-ol (CID 107412639) is 1,1,1-trifluoro-3-[(3-methylcyclopentyl)methylamino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(3-methylcyclopentyl)methylamino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(3-methylcyclopentyl)methylamino]propan-2-ol is CC1CCC(CNCC(O)C(F)(F)F)C1.
What is the InChIKey of 1,1,1-trifluoro-3-[(3-methylcyclopentyl)methylamino]propan-2-ol?
The InChIKey is KSZAUHCLWDRWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-7-2-3-8(4-7)5-14-6-9(15)10(11,12)13/h7-9,14-15H,2-6H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[(3-methylcyclopentyl)methylamino]propan-2-ol?
1,1,1-trifluoro-3-[(3-methylcyclopentyl)methylamino]propan-2-ol has a molecular weight of 225.25 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(3-methylcyclopentyl)methylamino]propan-2-ol is sourced from PubChem (CID 107412639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).