(2-amino-3,3,3-trifluoropropyl) carbamate

C4H7F3N2O2 — CID 175008737

IUPAC(2-amino-3,3,3-trifluoropropyl) carbamate
SMILESNC(=O)OCC(N)C(F)(F)F
InChIInChI=1S/C4H7F3N2O2/c5-4(6,7)2(8)1-11-3(9)10/h2H,1,8H2,(H2,9,10)
InChIKeyBGGLLBIFAWMABZ-UHFFFAOYSA-N
MW172.11 g/mol
LogP-0.03
Rot. Bonds2

About (2-amino-3,3,3-trifluoropropyl) carbamate

(2-amino-3,3,3-trifluoropropyl) carbamate (PubChem CID 175008737) has the molecular formula C4H7F3N2O2 and a molecular weight of 172.11 g/mol. Its IUPAC name is (2-amino-3,3,3-trifluoropropyl) carbamate.

Molecular Properties

Compound Name(2-amino-3,3,3-trifluoropropyl) carbamate
PubChem CID175008737
Molecular FormulaC4H7F3N2O2
Molecular Weight172.11 g/mol
Exact Mass172.05
IUPAC Name(2-amino-3,3,3-trifluoropropyl) carbamate
SMILESNC(=O)OCC(N)C(F)(F)F
InChIInChI=1S/C4H7F3N2O2/c5-4(6,7)2(8)1-11-3(9)10/h2H,1,8H2,(H2,9,10)
InChIKeyBGGLLBIFAWMABZ-UHFFFAOYSA-N
XLogP-0.03
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.11
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-3,3,3-trifluoropropyl) carbamate
CID 141368202
(3-carboxyoxy-1,1,1-trifluoropropan-2-yl) hydrogen carbonate
CID 87090974
ethyl 3-amino-4,4,4-trifluorobutanoate
CID 2774311
4-amino-1,1,1,5,5,5-hexafluoropentan-2-one
CID 163555520
3-ethoxy-1,1,1-trifluoropropan-2-amine
CID 64981755
[(2R)-2-hydroxy-3,3-dimethylbutyl] carbamate
CID 175027230
(2R,4S)-2,4-diamino-5,5,5-trifluoropentanoic acid
CID 95241054
(3-bromo-2-fluoropropyl) carbamate
CID 158576648
2-iodopropyl carbamate
CID 87289235
(2S,5R)-2,5-diamino-6,6,6-trifluorohexanoic acid
CID 39869181
[(2S)-2,3-dihydroxypropyl] carbamate
CID 141178909
3,4,4,4-tetrafluorobutanamide
CID 143771998

Frequently Asked Questions

What is the IUPAC name of (2-amino-3,3,3-trifluoropropyl) carbamate?
The IUPAC name of (2-amino-3,3,3-trifluoropropyl) carbamate (CID 175008737) is (2-amino-3,3,3-trifluoropropyl) carbamate.
What is the SMILES notation for (2-amino-3,3,3-trifluoropropyl) carbamate?
The canonical SMILES for (2-amino-3,3,3-trifluoropropyl) carbamate is NC(=O)OCC(N)C(F)(F)F.
What is the InChIKey of (2-amino-3,3,3-trifluoropropyl) carbamate?
The InChIKey is BGGLLBIFAWMABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3N2O2/c5-4(6,7)2(8)1-11-3(9)10/h2H,1,8H2,(H2,9,10).
What are the key properties of (2-amino-3,3,3-trifluoropropyl) carbamate?
(2-amino-3,3,3-trifluoropropyl) carbamate has a molecular weight of 172.11 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3,3,3-trifluoropropyl) carbamate is sourced from PubChem (CID 175008737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).