(3-amino-1,1-difluoropropan-2-yl)carbamic acid

C4H8F2N2O2 — CID 89486798

IUPAC(3-amino-1,1-difluoropropan-2-yl)carbamic acid
SMILESNCC(NC(=O)O)C(F)F
InChIInChI=1S/C4H8F2N2O2/c5-3(6)2(1-7)8-4(9)10/h2-3,8H,1,7H2,(H,9,10)
InChIKeyZNUZJDNPYMYOEU-UHFFFAOYSA-N
MW154.12 g/mol
LogP-0.15
Rot. Bonds3

About (3-amino-1,1-difluoropropan-2-yl)carbamic acid

(3-amino-1,1-difluoropropan-2-yl)carbamic acid (PubChem CID 89486798) has the molecular formula C4H8F2N2O2 and a molecular weight of 154.12 g/mol. Its IUPAC name is (3-amino-1,1-difluoropropan-2-yl)carbamic acid.

Molecular Properties

Compound Name(3-amino-1,1-difluoropropan-2-yl)carbamic acid
PubChem CID89486798
Molecular FormulaC4H8F2N2O2
Molecular Weight154.12 g/mol
Exact Mass154.06
IUPAC Name(3-amino-1,1-difluoropropan-2-yl)carbamic acid
SMILESNCC(NC(=O)O)C(F)F
InChIInChI=1S/C4H8F2N2O2/c5-3(6)2(1-7)8-4(9)10/h2-3,8H,1,7H2,(H,9,10)
InChIKeyZNUZJDNPYMYOEU-UHFFFAOYSA-N
XLogP-0.15
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1,1-difluoropropan-2-yl)carbamic acid?
The IUPAC name of (3-amino-1,1-difluoropropan-2-yl)carbamic acid (CID 89486798) is (3-amino-1,1-difluoropropan-2-yl)carbamic acid.
What is the SMILES notation for (3-amino-1,1-difluoropropan-2-yl)carbamic acid?
The canonical SMILES for (3-amino-1,1-difluoropropan-2-yl)carbamic acid is NCC(NC(=O)O)C(F)F.
What is the InChIKey of (3-amino-1,1-difluoropropan-2-yl)carbamic acid?
The InChIKey is ZNUZJDNPYMYOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2N2O2/c5-3(6)2(1-7)8-4(9)10/h2-3,8H,1,7H2,(H,9,10).
What are the key properties of (3-amino-1,1-difluoropropan-2-yl)carbamic acid?
(3-amino-1,1-difluoropropan-2-yl)carbamic acid has a molecular weight of 154.12 g/mol, XLogP of -0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1,1-difluoropropan-2-yl)carbamic acid is sourced from PubChem (CID 89486798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).