trans-(1S,2S)-2-[(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate

C14H15FNO3- — CID 6592948

IUPACtrans-(1S,2S)-2-[(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate
SMILESO=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H16FNO3/c15-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)14(18)19/h3-5,8,11-12H,1-2,6-7H2,(H,16,17)(H,18,19)/p-1/t11-,12-/m0/s1
InChIKeyHFIGTVJVIXQVDY-RYUDHWBXSA-M
MW264.28 g/mol
LogP1.32
Rot. Bonds3

About trans-(1S,2S)-2-[(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate

trans-(1S,2S)-2-[(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate (PubChem CID 6592948) has the molecular formula C14H15FNO3- and a molecular weight of 264.28 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate
PubChem CID6592948
Molecular FormulaC14H15FNO3-
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Nametrans-(1S,2S)-2-[(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate
SMILESO=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H16FNO3/c15-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)14(18)19/h3-5,8,11-12H,1-2,6-7H2,(H,16,17)(H,18,19)/p-1/t11-,12-/m0/s1
InChIKeyHFIGTVJVIXQVDY-RYUDHWBXSA-M
XLogP1.32
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 4744720
trans-(1S,2S)-2-[(3-fluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6978659
trans-(1R,2R)-2-(naphthalen-2-ylcarbamoyl)cyclohexane-1-carboxylate
CID 6991180
trans-(1S,2S)-2-[[3-(piperidine-1-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 6964103
trans-(1R,2R)-2-[(4-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 7472991
cis-(1R,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)cyclohexane-1-carboxylate
CID 6926407
trans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide
CID 7832111
2-N-cyclopropyl-1-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109130976
trans-(1S,2S)-2-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylate
CID 6950908
(1R,2R,3R,4S)-3-[(3-fluorophenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 2166755
trans-(1R,2R)-2-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 7312282
4-[[(1R,2R)-2-carboxylatocyclohexanecarbonyl]amino]benzoate
CID 6944194

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate?
The IUPAC name of trans-(1S,2S)-2-[(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate (CID 6592948) is trans-(1S,2S)-2-[(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate.
What is the SMILES notation for trans-(1S,2S)-2-[(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate?
The canonical SMILES for trans-(1S,2S)-2-[(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate is O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1cccc(F)c1.
What is the InChIKey of trans-(1S,2S)-2-[(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate?
The InChIKey is HFIGTVJVIXQVDY-RYUDHWBXSA-M. The full InChI is InChI=1S/C14H16FNO3/c15-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)14(18)19/h3-5,8,11-12H,1-2,6-7H2,(H,16,17)(H,18,19)/p-1/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate?
trans-(1S,2S)-2-[(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 6592948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).