N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide

C16H25F3N2O — CID 72837921

IUPACN-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)N[C@H]1CN(C2CCCC2)C[C@@H]1C1CC1
InChIInChI=1S/C16H25F3N2O/c17-16(18,19)8-7-15(22)20-14-10-21(12-3-1-2-4-12)9-13(14)11-5-6-11/h11-14H,1-10H2,(H,20,22)/t13-,14+/m1/s1
InChIKeyTXWCYFARRLNDMY-KGLIPLIRSA-N
MW318.38 g/mol
LogP3.10
Rot. Bonds5

About N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide

N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide (PubChem CID 72837921) has the molecular formula C16H25F3N2O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide
PubChem CID72837921
Molecular FormulaC16H25F3N2O
Molecular Weight318.38 g/mol
Exact Mass318.19
IUPAC NameN-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)N[C@H]1CN(C2CCCC2)C[C@@H]1C1CC1
InChIInChI=1S/C16H25F3N2O/c17-16(18,19)8-7-15(22)20-14-10-21(12-3-1-2-4-12)9-13(14)11-5-6-11/h11-14H,1-10H2,(H,20,22)/t13-,14+/m1/s1
InChIKeyTXWCYFARRLNDMY-KGLIPLIRSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide (CID 72837921) is N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide is O=C(CCC(F)(F)F)N[C@H]1CN(C2CCCC2)C[C@@H]1C1CC1.
What is the InChIKey of N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide?
The InChIKey is TXWCYFARRLNDMY-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H25F3N2O/c17-16(18,19)8-7-15(22)20-14-10-21(12-3-1-2-4-12)9-13(14)11-5-6-11/h11-14H,1-10H2,(H,20,22)/t13-,14+/m1/s1.
What are the key properties of N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide?
N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide has a molecular weight of 318.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-cyclopentyl-4-cyclopropylpyrrolidin-3-yl]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 72837921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).