2-fluoro-1-phenylcyclohexane-1-carboxamide

C13H16FNO — CID 68810873

IUPAC2-fluoro-1-phenylcyclohexane-1-carboxamide
SMILESNC(=O)C1(c2ccccc2)CCCCC1F
InChIInChI=1S/C13H16FNO/c14-11-8-4-5-9-13(11,12(15)16)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H2,15,16)
InChIKeyGBEAGNGAPDMNTG-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.32
Rot. Bonds2

About 2-fluoro-1-phenylcyclohexane-1-carboxamide

2-fluoro-1-phenylcyclohexane-1-carboxamide (PubChem CID 68810873) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-fluoro-1-phenylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-1-phenylcyclohexane-1-carboxamide
PubChem CID68810873
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name2-fluoro-1-phenylcyclohexane-1-carboxamide
SMILESNC(=O)C1(c2ccccc2)CCCCC1F
InChIInChI=1S/C13H16FNO/c14-11-8-4-5-9-13(11,12(15)16)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H2,15,16)
InChIKeyGBEAGNGAPDMNTG-UHFFFAOYSA-N
XLogP2.32
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-phenylcyclohexane-1-carboxamide?
The IUPAC name of 2-fluoro-1-phenylcyclohexane-1-carboxamide (CID 68810873) is 2-fluoro-1-phenylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-fluoro-1-phenylcyclohexane-1-carboxamide?
The canonical SMILES for 2-fluoro-1-phenylcyclohexane-1-carboxamide is NC(=O)C1(c2ccccc2)CCCCC1F.
What is the InChIKey of 2-fluoro-1-phenylcyclohexane-1-carboxamide?
The InChIKey is GBEAGNGAPDMNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c14-11-8-4-5-9-13(11,12(15)16)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H2,15,16).
What are the key properties of 2-fluoro-1-phenylcyclohexane-1-carboxamide?
2-fluoro-1-phenylcyclohexane-1-carboxamide has a molecular weight of 221.28 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-phenylcyclohexane-1-carboxamide is sourced from PubChem (CID 68810873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).