[(3R)-5,5-difluoropiperidin-3-yl]carbamic acid

C6H10F2N2O2 — CID 146599209

IUPAC[(3R)-5,5-difluoropiperidin-3-yl]carbamic acid
SMILESO=C(O)N[C@H]1CNCC(F)(F)C1
InChIInChI=1S/C6H10F2N2O2/c7-6(8)1-4(2-9-3-6)10-5(11)12/h4,9-10H,1-3H2,(H,11,12)/t4-/m1/s1
InChIKeyODWOHYPQLDMHTQ-SCSAIBSYSA-N
MW180.15 g/mol
LogP0.25
Rot. Bonds1

About [(3R)-5,5-difluoropiperidin-3-yl]carbamic acid

[(3R)-5,5-difluoropiperidin-3-yl]carbamic acid (PubChem CID 146599209) has the molecular formula C6H10F2N2O2 and a molecular weight of 180.15 g/mol. Its IUPAC name is [(3R)-5,5-difluoropiperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R)-5,5-difluoropiperidin-3-yl]carbamic acid
PubChem CID146599209
Molecular FormulaC6H10F2N2O2
Molecular Weight180.15 g/mol
Exact Mass180.07
IUPAC Name[(3R)-5,5-difluoropiperidin-3-yl]carbamic acid
SMILESO=C(O)N[C@H]1CNCC(F)(F)C1
InChIInChI=1S/C6H10F2N2O2/c7-6(8)1-4(2-9-3-6)10-5(11)12/h4,9-10H,1-3H2,(H,11,12)/t4-/m1/s1
InChIKeyODWOHYPQLDMHTQ-SCSAIBSYSA-N
XLogP0.25
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.15
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate
CID 97291627
benzyl N-[(3S)-5,5-difluoropiperidin-3-yl]carbamate;hydrochloride
CID 171991675
pyrrolidin-3-ylcarbamic acid;hydrochloride
CID 141142005
oxalic acid;pyrrolidin-3-ylcarbamic acid
CID 66616538
[(3R,5S)-5-hydroxypiperidin-3-yl]carbamic acid
CID 174231588
[1-(azetidin-3-yl)azetidin-3-yl]carbamic acid
CID 154997538
2-[(3,3-difluorocyclobutyl)amino]-2-oxoacetic acid
CID 131153136
3,3-difluoro-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 131067891
[(3S,4S)-4-hydroxy-4-methylpyrrolidin-3-yl]carbamic acid
CID 146268670
2-azaspiro[4.4]nonan-4-ylcarbamic acid
CID 118173842
(6,6-dimethylpiperidin-3-yl)carbamic acid
CID 174227842
3-(carbamoylamino)-N-[(3R)-5,5-difluoropiperidin-3-yl]-5-(3-fluorophenyl)thiophene-2-carboxamide
CID 177019216

Frequently Asked Questions

What is the IUPAC name of [(3R)-5,5-difluoropiperidin-3-yl]carbamic acid?
The IUPAC name of [(3R)-5,5-difluoropiperidin-3-yl]carbamic acid (CID 146599209) is [(3R)-5,5-difluoropiperidin-3-yl]carbamic acid.
What is the SMILES notation for [(3R)-5,5-difluoropiperidin-3-yl]carbamic acid?
The canonical SMILES for [(3R)-5,5-difluoropiperidin-3-yl]carbamic acid is O=C(O)N[C@H]1CNCC(F)(F)C1.
What is the InChIKey of [(3R)-5,5-difluoropiperidin-3-yl]carbamic acid?
The InChIKey is ODWOHYPQLDMHTQ-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H10F2N2O2/c7-6(8)1-4(2-9-3-6)10-5(11)12/h4,9-10H,1-3H2,(H,11,12)/t4-/m1/s1.
What are the key properties of [(3R)-5,5-difluoropiperidin-3-yl]carbamic acid?
[(3R)-5,5-difluoropiperidin-3-yl]carbamic acid has a molecular weight of 180.15 g/mol, XLogP of 0.25, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-5,5-difluoropiperidin-3-yl]carbamic acid is sourced from PubChem (CID 146599209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).