2-(aminomethyl)-3-cyclopentyl-1,1,1-trifluoropropan-2-ol

C9H16F3NO — CID 115027287

IUPAC2-(aminomethyl)-3-cyclopentyl-1,1,1-trifluoropropan-2-ol
SMILESNCC(O)(CC1CCCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c10-9(11,12)8(14,6-13)5-7-3-1-2-4-7/h7,14H,1-6,13H2
InChIKeyDSSNMMQGPNSRAQ-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.82
Rot. Bonds3

About 2-(aminomethyl)-3-cyclopentyl-1,1,1-trifluoropropan-2-ol

2-(aminomethyl)-3-cyclopentyl-1,1,1-trifluoropropan-2-ol (PubChem CID 115027287) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-(aminomethyl)-3-cyclopentyl-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-cyclopentyl-1,1,1-trifluoropropan-2-ol
PubChem CID115027287
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name2-(aminomethyl)-3-cyclopentyl-1,1,1-trifluoropropan-2-ol
SMILESNCC(O)(CC1CCCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c10-9(11,12)8(14,6-13)5-7-3-1-2-4-7/h7,14H,1-6,13H2
InChIKeyDSSNMMQGPNSRAQ-UHFFFAOYSA-N
XLogP1.82
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

2-(aminomethyl)-3-cycloheptyl-1,1,1-trifluoropropan-2-ol
CID 115043071
3-cyclopentyl-2-fluoro-2-phenylpropan-1-amine
CID 112566200
1-amino-2-[(3,3-difluorocyclohexyl)methyl]-3,3-dimethylbutan-2-ol
CID 114224520
(3,3,3-trifluoro-2,2-dimethylpropyl)cyclopentane
CID 118360308
3-amino-2-cyclohexyl-1,1,1-trifluoropropan-2-ol
CID 83916807
3-amino-2-cycloheptyl-1,1,1-trifluoropropan-2-ol
CID 115034947
1-cyclopentyl-2-methylpropan-2-ol
CID 18424051
2-(cyclopentylmethyl)-2,3,3,3-tetrafluoropropanoic acid
CID 115036499
2-(aminomethyl)-2-(cyclohexylmethyl)-3-cyclopropylpropan-1-ol
CID 106506751
3-cyclopentyl-2,2-dimethylpropan-1-amine;hydrochloride
CID 122240185
2-amino-1-cyclohexylpropan-2-ol
CID 57094409
3-cycloheptyl-2,2-difluoropropan-1-ol
CID 105446100

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-cyclopentyl-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-(aminomethyl)-3-cyclopentyl-1,1,1-trifluoropropan-2-ol (CID 115027287) is 2-(aminomethyl)-3-cyclopentyl-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-(aminomethyl)-3-cyclopentyl-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-(aminomethyl)-3-cyclopentyl-1,1,1-trifluoropropan-2-ol is NCC(O)(CC1CCCC1)C(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-3-cyclopentyl-1,1,1-trifluoropropan-2-ol?
The InChIKey is DSSNMMQGPNSRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)8(14,6-13)5-7-3-1-2-4-7/h7,14H,1-6,13H2.
What are the key properties of 2-(aminomethyl)-3-cyclopentyl-1,1,1-trifluoropropan-2-ol?
2-(aminomethyl)-3-cyclopentyl-1,1,1-trifluoropropan-2-ol has a molecular weight of 211.23 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-cyclopentyl-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 115027287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).