N-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C10H14F6N2O — CID 103308995

IUPACN-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESNCC1CCCC1NC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6N2O/c11-9(12,13)7(10(14,15)16)8(19)18-6-3-1-2-5(6)4-17/h5-7H,1-4,17H2,(H,18,19)
InChIKeyMFCLWXORPQDMCJ-UHFFFAOYSA-N
MW292.22 g/mol
LogP1.97
Rot. Bonds3

About N-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

N-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 103308995) has the molecular formula C10H14F6N2O and a molecular weight of 292.22 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID103308995
Molecular FormulaC10H14F6N2O
Molecular Weight292.22 g/mol
Exact Mass292.10
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESNCC1CCCC1NC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H14F6N2O/c11-9(12,13)7(10(14,15)16)8(19)18-6-3-1-2-5(6)4-17/h5-7H,1-4,17H2,(H,18,19)
InChIKeyMFCLWXORPQDMCJ-UHFFFAOYSA-N
XLogP1.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310394
N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310467
N-[2-(aminomethyl)cyclopentyl]-2,3,3-trimethylbutanamide
CID 119601992
2-amino-N-[2-(aminomethyl)cyclopentyl]propanamide
CID 130609723
[(1S,2R)-2-(aminomethyl)cyclopentyl]urea
CID 94903973
3,3,3-trifluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethyl)propanamide
CID 103310253
N-[2-(aminomethyl)cyclohexyl]-2-methylbutanamide;hydrochloride
CID 119609146
N-[2-(aminomethyl)cyclopentyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103807208
N-[2-(aminomethyl)cyclopentyl]-4,4-dimethylpentanamide;hydrochloride
CID 119605302
[(1R,2S)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566827
[(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566826
N-cyclopentyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310113

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 103308995) is N-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is NCC1CCCC1NC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is MFCLWXORPQDMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6N2O/c11-9(12,13)7(10(14,15)16)8(19)18-6-3-1-2-5(6)4-17/h5-7H,1-4,17H2,(H,18,19).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 292.22 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103308995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).