3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide

C10H17F2NO — CID 130487780

IUPAC3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)NC(=O)C1CCCC(F)(F)C1
InChIInChI=1S/C10H17F2NO/c1-7(2)13-9(14)8-4-3-5-10(11,12)6-8/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyAHVZLQPNGUIXPZ-UHFFFAOYSA-N
MW205.25 g/mol
LogP2.34
Rot. Bonds2

About 3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide

3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 130487780) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID130487780
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)NC(=O)C1CCCC(F)(F)C1
InChIInChI=1S/C10H17F2NO/c1-7(2)13-9(14)8-4-3-5-10(11,12)6-8/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyAHVZLQPNGUIXPZ-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclohexanecarbonylpentadecylamine
CID 44398718
N,3-dicyclohexylpropanamide
CID 759108
N,2-dicyclohexylacetamide
CID 880907
N-butylcyclohexanecarboxamide
CID 3544722
N-2,3-difluorobenzoyl-L-leucine-glycine nitrile (22)
CID 127054394
N-cyclohexyl-3-cyclopentylpropanamide
CID 835664
N-cyclohexylcyclohexanecarboxamide
CID 344739
N-Cyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
CID 4363307
2-cyclohexyl-N-dodecylacetamide
CID 22978779
Valeramide, N-isopropyl-2-propyl-
CID 200920
N-dodecylcyclohexanecarboxamide
CID 3730607
2-cyclohexyl-N-cyclopentylacetamide
CID 2285482

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide (CID 130487780) is 3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide is CC(C)NC(=O)C1CCCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is AHVZLQPNGUIXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-7(2)13-9(14)8-4-3-5-10(11,12)6-8/h7-8H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide?
3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 205.25 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 130487780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).