4-fluoro-N,N-dimethyl-4-propan-2-ylcyclohexane-1-carboxamide

C12H22FNO — CID 118941624

IUPAC4-fluoro-N,N-dimethyl-4-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)C1(F)CCC(C(=O)N(C)C)CC1
InChIInChI=1S/C12H22FNO/c1-9(2)12(13)7-5-10(6-8-12)11(15)14(3)4/h9-10H,5-8H2,1-4H3
InChIKeyOFKDUXZSJOZOSU-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.63
Rot. Bonds2

About 4-fluoro-N,N-dimethyl-4-propan-2-ylcyclohexane-1-carboxamide

4-fluoro-N,N-dimethyl-4-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 118941624) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is 4-fluoro-N,N-dimethyl-4-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-N,N-dimethyl-4-propan-2-ylcyclohexane-1-carboxamide
PubChem CID118941624
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name4-fluoro-N,N-dimethyl-4-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)C1(F)CCC(C(=O)N(C)C)CC1
InChIInChI=1S/C12H22FNO/c1-9(2)12(13)7-5-10(6-8-12)11(15)14(3)4/h9-10H,5-8H2,1-4H3
InChIKeyOFKDUXZSJOZOSU-UHFFFAOYSA-N
XLogP2.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,N-dimethyl-4-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-fluoro-N,N-dimethyl-4-propan-2-ylcyclohexane-1-carboxamide (CID 118941624) is 4-fluoro-N,N-dimethyl-4-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-fluoro-N,N-dimethyl-4-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-fluoro-N,N-dimethyl-4-propan-2-ylcyclohexane-1-carboxamide is CC(C)C1(F)CCC(C(=O)N(C)C)CC1.
What is the InChIKey of 4-fluoro-N,N-dimethyl-4-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is OFKDUXZSJOZOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c1-9(2)12(13)7-5-10(6-8-12)11(15)14(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 4-fluoro-N,N-dimethyl-4-propan-2-ylcyclohexane-1-carboxamide?
4-fluoro-N,N-dimethyl-4-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 215.31 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,N-dimethyl-4-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 118941624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).