benzyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid

C13H16FNO2 — CID 175352896

IUPACbenzyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid
SMILESO=C(O)N(Cc1ccccc1)[C@@H]1CC[C@H](F)C1
InChIInChI=1S/C13H16FNO2/c14-11-6-7-12(8-11)15(13(16)17)9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,16,17)/t11-,12+/m0/s1
InChIKeyRSJNCEHYBRLUAN-NWDGAFQWSA-N
MW237.27 g/mol
LogP3.06
Rot. Bonds3

About benzyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid

benzyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid (PubChem CID 175352896) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is benzyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid.

Molecular Properties

Compound Namebenzyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid
PubChem CID175352896
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Namebenzyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid
SMILESO=C(O)N(Cc1ccccc1)[C@@H]1CC[C@H](F)C1
InChIInChI=1S/C13H16FNO2/c14-11-6-7-12(8-11)15(13(16)17)9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,16,17)/t11-,12+/m0/s1
InChIKeyRSJNCEHYBRLUAN-NWDGAFQWSA-N
XLogP3.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of benzyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid?
The IUPAC name of benzyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid (CID 175352896) is benzyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid.
What is the SMILES notation for benzyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid?
The canonical SMILES for benzyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid is O=C(O)N(Cc1ccccc1)[C@@H]1CC[C@H](F)C1.
What is the InChIKey of benzyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid?
The InChIKey is RSJNCEHYBRLUAN-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-11-6-7-12(8-11)15(13(16)17)9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,16,17)/t11-,12+/m0/s1.
What are the key properties of benzyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid?
benzyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid has a molecular weight of 237.27 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid is sourced from PubChem (CID 175352896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).