N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4,4-difluorocyclohexane-1-carboxamide

C14H20F5NO — CID 97328146

IUPACN-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4,4-difluorocyclohexane-1-carboxamide
SMILESO=C(N[C@@H](C1CCCC1)C(F)(F)F)C1CCC(F)(F)CC1
InChIInChI=1S/C14H20F5NO/c15-13(16)7-5-10(6-8-13)12(21)20-11(14(17,18)19)9-3-1-2-4-9/h9-11H,1-8H2,(H,20,21)/t11-/m0/s1
InChIKeyVGYDBIQPMFTFIF-NSHDSACASA-N
MW313.31 g/mol
LogP4.05
Rot. Bonds3

About N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4,4-difluorocyclohexane-1-carboxamide

N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4,4-difluorocyclohexane-1-carboxamide (PubChem CID 97328146) has the molecular formula C14H20F5NO and a molecular weight of 313.31 g/mol. Its IUPAC name is N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4,4-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4,4-difluorocyclohexane-1-carboxamide
PubChem CID97328146
Molecular FormulaC14H20F5NO
Molecular Weight313.31 g/mol
Exact Mass313.15
IUPAC NameN-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4,4-difluorocyclohexane-1-carboxamide
SMILESO=C(N[C@@H](C1CCCC1)C(F)(F)F)C1CCC(F)(F)CC1
InChIInChI=1S/C14H20F5NO/c15-13(16)7-5-10(6-8-13)12(21)20-11(14(17,18)19)9-3-1-2-4-9/h9-11H,1-8H2,(H,20,21)/t11-/m0/s1
InChIKeyVGYDBIQPMFTFIF-NSHDSACASA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4,4-difluorocyclohexane-1-carboxamide?
The IUPAC name of N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4,4-difluorocyclohexane-1-carboxamide (CID 97328146) is N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4,4-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4,4-difluorocyclohexane-1-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4,4-difluorocyclohexane-1-carboxamide is O=C(N[C@@H](C1CCCC1)C(F)(F)F)C1CCC(F)(F)CC1.
What is the InChIKey of N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4,4-difluorocyclohexane-1-carboxamide?
The InChIKey is VGYDBIQPMFTFIF-NSHDSACASA-N. The full InChI is InChI=1S/C14H20F5NO/c15-13(16)7-5-10(6-8-13)12(21)20-11(14(17,18)19)9-3-1-2-4-9/h9-11H,1-8H2,(H,20,21)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4,4-difluorocyclohexane-1-carboxamide?
N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4,4-difluorocyclohexane-1-carboxamide has a molecular weight of 313.31 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4,4-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 97328146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).