(4,4-difluoropiperidin-3-yl)carbamic acid

C6H10F2N2O2 — CID 69042639

IUPAC(4,4-difluoropiperidin-3-yl)carbamic acid
SMILESO=C(O)NC1CNCCC1(F)F
InChIInChI=1S/C6H10F2N2O2/c7-6(8)1-2-9-3-4(6)10-5(11)12/h4,9-10H,1-3H2,(H,11,12)
InChIKeyGSDOUYKUJZJCGB-UHFFFAOYSA-N
MW180.15 g/mol
LogP0.25
Rot. Bonds1

About (4,4-difluoropiperidin-3-yl)carbamic acid

(4,4-difluoropiperidin-3-yl)carbamic acid (PubChem CID 69042639) has the molecular formula C6H10F2N2O2 and a molecular weight of 180.15 g/mol. Its IUPAC name is (4,4-difluoropiperidin-3-yl)carbamic acid.

Molecular Properties

Compound Name(4,4-difluoropiperidin-3-yl)carbamic acid
PubChem CID69042639
Molecular FormulaC6H10F2N2O2
Molecular Weight180.15 g/mol
Exact Mass180.07
IUPAC Name(4,4-difluoropiperidin-3-yl)carbamic acid
SMILESO=C(O)NC1CNCCC1(F)F
InChIInChI=1S/C6H10F2N2O2/c7-6(8)1-2-9-3-4(6)10-5(11)12/h4,9-10H,1-3H2,(H,11,12)
InChIKeyGSDOUYKUJZJCGB-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-3-yl)carbamic acid?
The IUPAC name of (4,4-difluoropiperidin-3-yl)carbamic acid (CID 69042639) is (4,4-difluoropiperidin-3-yl)carbamic acid.
What is the SMILES notation for (4,4-difluoropiperidin-3-yl)carbamic acid?
The canonical SMILES for (4,4-difluoropiperidin-3-yl)carbamic acid is O=C(O)NC1CNCCC1(F)F.
What is the InChIKey of (4,4-difluoropiperidin-3-yl)carbamic acid?
The InChIKey is GSDOUYKUJZJCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2O2/c7-6(8)1-2-9-3-4(6)10-5(11)12/h4,9-10H,1-3H2,(H,11,12).
What are the key properties of (4,4-difluoropiperidin-3-yl)carbamic acid?
(4,4-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 (4,4-difluoropiperidin-3-yl)carbamic acid is sourced from PubChem (CID 69042639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).