(1R)-4-(4-fluorophenyl)cyclohex-3-ene-1-carboxamide

C13H14FNO — CID 125489687

IUPAC(1R)-4-(4-fluorophenyl)cyclohex-3-ene-1-carboxamide
SMILESNC(=O)[C@H]1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C13H14FNO/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1,5-8,11H,2-4H2,(H2,15,16)/t11-/m0/s1
InChIKeyFBPRJQKFAOGPJJ-NSHDSACASA-N
MW219.26 g/mol
LogP2.49
Rot. Bonds2

About (1R)-4-(4-fluorophenyl)cyclohex-3-ene-1-carboxamide

(1R)-4-(4-fluorophenyl)cyclohex-3-ene-1-carboxamide (PubChem CID 125489687) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is (1R)-4-(4-fluorophenyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-4-(4-fluorophenyl)cyclohex-3-ene-1-carboxamide
PubChem CID125489687
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name(1R)-4-(4-fluorophenyl)cyclohex-3-ene-1-carboxamide
SMILESNC(=O)[C@H]1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C13H14FNO/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1,5-8,11H,2-4H2,(H2,15,16)/t11-/m0/s1
InChIKeyFBPRJQKFAOGPJJ-NSHDSACASA-N
XLogP2.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-4-(4-fluorophenyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-4-(4-fluorophenyl)cyclohex-3-ene-1-carboxamide (CID 125489687) is (1R)-4-(4-fluorophenyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-4-(4-fluorophenyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-4-(4-fluorophenyl)cyclohex-3-ene-1-carboxamide is NC(=O)[C@H]1CC=C(c2ccc(F)cc2)CC1.
What is the InChIKey of (1R)-4-(4-fluorophenyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is FBPRJQKFAOGPJJ-NSHDSACASA-N. The full InChI is InChI=1S/C13H14FNO/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1,5-8,11H,2-4H2,(H2,15,16)/t11-/m0/s1.
What are the key properties of (1R)-4-(4-fluorophenyl)cyclohex-3-ene-1-carboxamide?
(1R)-4-(4-fluorophenyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 219.26 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-(4-fluorophenyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 125489687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).