N-[(1R,2S)-2-fluorocyclopentyl]cyclohexene-1-carboxamide

C12H18FNO — CID 128540283

IUPACN-[(1R,2S)-2-fluorocyclopentyl]cyclohexene-1-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H]1F)C1=CCCCC1
InChIInChI=1S/C12H18FNO/c13-10-7-4-8-11(10)14-12(15)9-5-2-1-3-6-9/h5,10-11H,1-4,6-8H2,(H,14,15)/t10-,11+/m0/s1
InChIKeyXJZFCXPWAPYIPA-WDEREUQCSA-N
MW211.28 g/mol
LogP2.49
Rot. Bonds2

About N-[(1R,2S)-2-fluorocyclopentyl]cyclohexene-1-carboxamide

N-[(1R,2S)-2-fluorocyclopentyl]cyclohexene-1-carboxamide (PubChem CID 128540283) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is N-[(1R,2S)-2-fluorocyclopentyl]cyclohexene-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-fluorocyclopentyl]cyclohexene-1-carboxamide
PubChem CID128540283
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC NameN-[(1R,2S)-2-fluorocyclopentyl]cyclohexene-1-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H]1F)C1=CCCCC1
InChIInChI=1S/C12H18FNO/c13-10-7-4-8-11(10)14-12(15)9-5-2-1-3-6-9/h5,10-11H,1-4,6-8H2,(H,14,15)/t10-,11+/m0/s1
InChIKeyXJZFCXPWAPYIPA-WDEREUQCSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-N-propylcyclopentene-1-carboxamide
CID 71746980
4-amino-N-pentylcyclopentene-1-carboxamide
CID 71746981
(1E)-N-butylcyclooctene-1-carboxamide
CID 134988362
N-ethyl-2-fluorocyclohexene-1-carboxamide
CID 67765163
N-[(2S)-1-fluoro-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
CID 123678126
N-cyclopentyl-2-fluoro-4-methylidenecyclohexa-1,5-diene-1-carboxamide
CID 123846307
2-fluoro-N-propan-2-ylcyclohexene-1-carboxamide
CID 126513993
2-fluoro-N-propan-2-ylcyclopentene-1-carboxamide
CID 126514043
N-propan-2-yl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 126663547
2-fluoro-N-propylcyclohexene-1-carboxamide
CID 129028203
4-fluoro-3-methyl-6-methylidene-N-propan-2-ylcyclohepta-1,3-diene-1-carboxamide
CID 147091160
N-(4,4-difluorocyclohexyl)cyclopentene-1-carboxamide
CID 177769000

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-fluorocyclopentyl]cyclohexene-1-carboxamide?
The IUPAC name of N-[(1R,2S)-2-fluorocyclopentyl]cyclohexene-1-carboxamide (CID 128540283) is N-[(1R,2S)-2-fluorocyclopentyl]cyclohexene-1-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-fluorocyclopentyl]cyclohexene-1-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-fluorocyclopentyl]cyclohexene-1-carboxamide is O=C(N[C@@H]1CCC[C@@H]1F)C1=CCCCC1.
What is the InChIKey of N-[(1R,2S)-2-fluorocyclopentyl]cyclohexene-1-carboxamide?
The InChIKey is XJZFCXPWAPYIPA-WDEREUQCSA-N. The full InChI is InChI=1S/C12H18FNO/c13-10-7-4-8-11(10)14-12(15)9-5-2-1-3-6-9/h5,10-11H,1-4,6-8H2,(H,14,15)/t10-,11+/m0/s1.
What are the key properties of N-[(1R,2S)-2-fluorocyclopentyl]cyclohexene-1-carboxamide?
N-[(1R,2S)-2-fluorocyclopentyl]cyclohexene-1-carboxamide has a molecular weight of 211.28 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 N-[(1R,2S)-2-fluorocyclopentyl]cyclohexene-1-carboxamide is sourced from PubChem (CID 128540283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).