1-fluoro-N-propan-2-ylcyclohexane-1-carboxamide

C10H18FNO — CID 10773936

IUPAC1-fluoro-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)NC(=O)C1(F)CCCCC1
InChIInChI=1S/C10H18FNO/c1-8(2)12-9(13)10(11)6-4-3-5-7-10/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyJTSBCPYLZJEOLD-UHFFFAOYSA-N
MW187.26 g/mol
LogP2.18
Rot. Bonds2

About 1-fluoro-N-propan-2-ylcyclohexane-1-carboxamide

1-fluoro-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 10773936) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 1-fluoro-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-fluoro-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID10773936
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name1-fluoro-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)NC(=O)C1(F)CCCCC1
InChIInChI=1S/C10H18FNO/c1-8(2)12-9(13)10(11)6-4-3-5-7-10/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyJTSBCPYLZJEOLD-UHFFFAOYSA-N
XLogP2.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-fluoro-N-propan-2-ylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 1-fluoro-N-propan-2-ylcyclohexane-1-carboxamide (CID 10773936) is 1-fluoro-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-fluoro-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 1-fluoro-N-propan-2-ylcyclohexane-1-carboxamide is CC(C)NC(=O)C1(F)CCCCC1.
What is the InChIKey of 1-fluoro-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is JTSBCPYLZJEOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-8(2)12-9(13)10(11)6-4-3-5-7-10/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 1-fluoro-N-propan-2-ylcyclohexane-1-carboxamide?
1-fluoro-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 187.26 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 10773936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).