4,4-difluoro-N-[(2R)-3-methylbutan-2-yl]cyclohexane-1-carboxamide

C12H21F2NO — CID 164556074

IUPAC4,4-difluoro-N-[(2R)-3-methylbutan-2-yl]cyclohexane-1-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C12H21F2NO/c1-8(2)9(3)15-11(16)10-4-6-12(13,14)7-5-10/h8-10H,4-7H2,1-3H3,(H,15,16)/t9-/m1/s1
InChIKeyUNDZQQIQMJSTLT-SECBINFHSA-N
MW233.30 g/mol
LogP2.97
Rot. Bonds3

About 4,4-difluoro-N-[(2R)-3-methylbutan-2-yl]cyclohexane-1-carboxamide

4,4-difluoro-N-[(2R)-3-methylbutan-2-yl]cyclohexane-1-carboxamide (PubChem CID 164556074) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is 4,4-difluoro-N-[(2R)-3-methylbutan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[(2R)-3-methylbutan-2-yl]cyclohexane-1-carboxamide
PubChem CID164556074
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC Name4,4-difluoro-N-[(2R)-3-methylbutan-2-yl]cyclohexane-1-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C12H21F2NO/c1-8(2)9(3)15-11(16)10-4-6-12(13,14)7-5-10/h8-10H,4-7H2,1-3H3,(H,15,16)/t9-/m1/s1
InChIKeyUNDZQQIQMJSTLT-SECBINFHSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[(2R)-3-methylbutan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-[(2R)-3-methylbutan-2-yl]cyclohexane-1-carboxamide (CID 164556074) is 4,4-difluoro-N-[(2R)-3-methylbutan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[(2R)-3-methylbutan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[(2R)-3-methylbutan-2-yl]cyclohexane-1-carboxamide is CC(C)[C@@H](C)NC(=O)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-[(2R)-3-methylbutan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is UNDZQQIQMJSTLT-SECBINFHSA-N. The full InChI is InChI=1S/C12H21F2NO/c1-8(2)9(3)15-11(16)10-4-6-12(13,14)7-5-10/h8-10H,4-7H2,1-3H3,(H,15,16)/t9-/m1/s1.
What are the key properties of 4,4-difluoro-N-[(2R)-3-methylbutan-2-yl]cyclohexane-1-carboxamide?
4,4-difluoro-N-[(2R)-3-methylbutan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 233.30 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[(2R)-3-methylbutan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 164556074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).