(3-amino-2,2-difluoropropyl)carbamic acid

C4H8F2N2O2 — CID 121434560

IUPAC(3-amino-2,2-difluoropropyl)carbamic acid
SMILESNCC(F)(F)CNC(=O)O
InChIInChI=1S/C4H8F2N2O2/c5-4(6,1-7)2-8-3(9)10/h8H,1-2,7H2,(H,9,10)
InChIKeyNAEQHKYWJGMSDK-UHFFFAOYSA-N
MW154.12 g/mol
LogP-0.15
Rot. Bonds3

About (3-amino-2,2-difluoropropyl)carbamic acid

(3-amino-2,2-difluoropropyl)carbamic acid (PubChem CID 121434560) has the molecular formula C4H8F2N2O2 and a molecular weight of 154.12 g/mol. Its IUPAC name is (3-amino-2,2-difluoropropyl)carbamic acid.

Molecular Properties

Compound Name(3-amino-2,2-difluoropropyl)carbamic acid
PubChem CID121434560
Molecular FormulaC4H8F2N2O2
Molecular Weight154.12 g/mol
Exact Mass154.06
IUPAC Name(3-amino-2,2-difluoropropyl)carbamic acid
SMILESNCC(F)(F)CNC(=O)O
InChIInChI=1S/C4H8F2N2O2/c5-4(6,1-7)2-8-3(9)10/h8H,1-2,7H2,(H,9,10)
InChIKeyNAEQHKYWJGMSDK-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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Related Compounds

N-(3-amino-2,2-difluoropropyl)-2,2-dimethylpropanamide
CID 114383402
N-(3-amino-2,2-difluoropropyl)dodecanamide
CID 114383633
1-(3-amino-2,2-difluoropropyl)-3-cyclopropylurea
CID 114383861
7-amino-N-(3-amino-2,2-difluoropropyl)heptanamide
CID 122081032
N-(3-amino-2,2-difluoropropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 104954954
N-(3-amino-2,2-difluoropropyl)-2-methyl-2-methylsulfonylpropanamide
CID 114383819
N-(3-amino-2,2-difluoropropyl)-3,4,4-trimethylpentanamide
CID 114383560
(2-fluoro-3-hydroxy-2-methylpropyl)carbamic acid
CID 126688385
N-(3-amino-2,2-difluoropropyl)-4-chlorobenzamide
CID 114383666
N-(3-amino-2,2-difluoropropyl)-2-hydroxybenzamide
CID 114383534
N-(3-amino-2,2-difluoropropyl)-2,3-dihydroxybenzamide
CID 114383835
2-amino-N-(3-amino-2,2-difluoropropyl)benzamide
CID 122081037

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,2-difluoropropyl)carbamic acid?
The IUPAC name of (3-amino-2,2-difluoropropyl)carbamic acid (CID 121434560) is (3-amino-2,2-difluoropropyl)carbamic acid.
What is the SMILES notation for (3-amino-2,2-difluoropropyl)carbamic acid?
The canonical SMILES for (3-amino-2,2-difluoropropyl)carbamic acid is NCC(F)(F)CNC(=O)O.
What is the InChIKey of (3-amino-2,2-difluoropropyl)carbamic acid?
The InChIKey is NAEQHKYWJGMSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2N2O2/c5-4(6,1-7)2-8-3(9)10/h8H,1-2,7H2,(H,9,10).
What are the key properties of (3-amino-2,2-difluoropropyl)carbamic acid?
(3-amino-2,2-difluoropropyl)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-2,2-difluoropropyl)carbamic acid is sourced from PubChem (CID 121434560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).