1,1,1-trifluorobutane-2,3-diamine

C4H9F3N2 — CID 130988807

IUPAC1,1,1-trifluorobutane-2,3-diamine
SMILESCC(N)C(N)C(F)(F)F
InChIInChI=1S/C4H9F3N2/c1-2(8)3(9)4(5,6)7/h2-3H,8-9H2,1H3
InChIKeyZLGBXJWFKHUOGT-UHFFFAOYSA-N
MW142.12 g/mol
LogP0.22
Rot. Bonds1

About 1,1,1-trifluorobutane-2,3-diamine

1,1,1-trifluorobutane-2,3-diamine (PubChem CID 130988807) has the molecular formula C4H9F3N2 and a molecular weight of 142.12 g/mol. Its IUPAC name is 1,1,1-trifluorobutane-2,3-diamine.

Molecular Properties

Compound Name1,1,1-trifluorobutane-2,3-diamine
PubChem CID130988807
Molecular FormulaC4H9F3N2
Molecular Weight142.12 g/mol
Exact Mass142.07
IUPAC Name1,1,1-trifluorobutane-2,3-diamine
SMILESCC(N)C(N)C(F)(F)F
InChIInChI=1S/C4H9F3N2/c1-2(8)3(9)4(5,6)7/h2-3H,8-9H2,1H3
InChIKeyZLGBXJWFKHUOGT-UHFFFAOYSA-N
XLogP0.22
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-amine
CID 122577413
(2R,3S)-3-amino-4,4,4-trifluorobutan-2-ol;hydrochloride
CID 146050225
(2R)-1,1,1,3,3-pentafluoropropan-2-amine
CID 130625180
2-methylpropane;(2R)-1,1,1-trifluoropropan-2-amine
CID 159945347
(2R,3S)-3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride
CID 24797122
1,1,1-trifluoro-3,4-dimethylhexan-2-amine
CID 163739387
(3S)-2,2-difluoro-4-methylpentan-3-amine
CID 84648303
2,2-difluoropropane-1,1-diamine;hydrochloride
CID 87958689
(2S)-3-fluoro-3-methylbutan-2-amine
CID 83814959
1,1,1-trifluoro-5-methoxy-3-methylpentan-2-amine
CID 105044294
(3R)-butane-2,3-diamine
CID 172719520
1,1,1-trifluoro-4,4-dimethyl-2-(trifluoromethyl)pentan-3-amine
CID 103311915

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluorobutane-2,3-diamine?
The IUPAC name of 1,1,1-trifluorobutane-2,3-diamine (CID 130988807) is 1,1,1-trifluorobutane-2,3-diamine.
What is the SMILES notation for 1,1,1-trifluorobutane-2,3-diamine?
The canonical SMILES for 1,1,1-trifluorobutane-2,3-diamine is CC(N)C(N)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluorobutane-2,3-diamine?
The InChIKey is ZLGBXJWFKHUOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F3N2/c1-2(8)3(9)4(5,6)7/h2-3H,8-9H2,1H3.
What are the key properties of 1,1,1-trifluorobutane-2,3-diamine?
1,1,1-trifluorobutane-2,3-diamine has a molecular weight of 142.12 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluorobutane-2,3-diamine is sourced from PubChem (CID 130988807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).