[(1S)-3,3-difluoro-1-(hydroxymethyl)cyclopentyl] carbamate

C7H11F2NO3 — CID 155368585

IUPAC[(1S)-3,3-difluoro-1-(hydroxymethyl)cyclopentyl] carbamate
SMILESNC(=O)O[C@@]1(CO)CCC(F)(F)C1
InChIInChI=1S/C7H11F2NO3/c8-7(9)2-1-6(3-7,4-11)13-5(10)12/h11H,1-4H2,(H2,10,12)/t6-/m0/s1
InChIKeyLONASDFOWBNLPV-LURJTMIESA-N
MW195.16 g/mol
LogP0.63
Rot. Bonds2

About [(1S)-3,3-difluoro-1-(hydroxymethyl)cyclopentyl] carbamate

[(1S)-3,3-difluoro-1-(hydroxymethyl)cyclopentyl] carbamate (PubChem CID 155368585) has the molecular formula C7H11F2NO3 and a molecular weight of 195.16 g/mol. Its IUPAC name is [(1S)-3,3-difluoro-1-(hydroxymethyl)cyclopentyl] carbamate.

Molecular Properties

Compound Name[(1S)-3,3-difluoro-1-(hydroxymethyl)cyclopentyl] carbamate
PubChem CID155368585
Molecular FormulaC7H11F2NO3
Molecular Weight195.16 g/mol
Exact Mass195.07
IUPAC Name[(1S)-3,3-difluoro-1-(hydroxymethyl)cyclopentyl] carbamate
SMILESNC(=O)O[C@@]1(CO)CCC(F)(F)C1
InChIInChI=1S/C7H11F2NO3/c8-7(9)2-1-6(3-7,4-11)13-5(10)12/h11H,1-4H2,(H2,10,12)/t6-/m0/s1
InChIKeyLONASDFOWBNLPV-LURJTMIESA-N
XLogP0.63
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3,3-difluoro-1-formylcyclopentyl) carbamate
CID 175173267
4,4-difluoro-1-(hydroxymethyl)cyclohexane-1-carboxylic acid
CID 86690087
ethyl (1R)-1-amino-3,3-difluorocyclopentane-1-carboxylate
CID 162586046
2-[4,4-difluoro-1-(methylaminooxy)cyclohexyl]acetic acid
CID 165457571
3,3-difluoro-1-(2-hydroxy-2-methylpropyl)cyclopentane-1-carboxylic acid
CID 170909967
[2-(difluoromethyl)-1-(hydroxymethyl)cyclopropyl] carbamate
CID 175170570
[1-(1-aminoethyl)cyclopropyl] carbamate
CID 175169342
(1-methoxycyclopropyl)methanol
CID 22889103
(4-fluoro-1-bicyclo[2.2.2]octanyl)methanol
CID 86114329
ethyl 3,3-difluoro-1-(hydroxymethyl)cyclobutane-1-carboxylate
CID 162420364
(1S)-3,3-difluoro-1-hydroxycyclohexane-1-carboxamide
CID 118555978
[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl] carbamate
CID 170319567

Frequently Asked Questions

What is the IUPAC name of [(1S)-3,3-difluoro-1-(hydroxymethyl)cyclopentyl] carbamate?
The IUPAC name of [(1S)-3,3-difluoro-1-(hydroxymethyl)cyclopentyl] carbamate (CID 155368585) is [(1S)-3,3-difluoro-1-(hydroxymethyl)cyclopentyl] carbamate.
What is the SMILES notation for [(1S)-3,3-difluoro-1-(hydroxymethyl)cyclopentyl] carbamate?
The canonical SMILES for [(1S)-3,3-difluoro-1-(hydroxymethyl)cyclopentyl] carbamate is NC(=O)O[C@@]1(CO)CCC(F)(F)C1.
What is the InChIKey of [(1S)-3,3-difluoro-1-(hydroxymethyl)cyclopentyl] carbamate?
The InChIKey is LONASDFOWBNLPV-LURJTMIESA-N. The full InChI is InChI=1S/C7H11F2NO3/c8-7(9)2-1-6(3-7,4-11)13-5(10)12/h11H,1-4H2,(H2,10,12)/t6-/m0/s1.
What are the key properties of [(1S)-3,3-difluoro-1-(hydroxymethyl)cyclopentyl] carbamate?
[(1S)-3,3-difluoro-1-(hydroxymethyl)cyclopentyl] carbamate has a molecular weight of 195.16 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-3,3-difluoro-1-(hydroxymethyl)cyclopentyl] carbamate is sourced from PubChem (CID 155368585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).