2-(trifluoromethyl)butan-1-amine

C5H10F3N — CID 10351789

IUPAC2-(trifluoromethyl)butan-1-amine
SMILESCCC(CN)C(F)(F)F
InChIInChI=1S/C5H10F3N/c1-2-4(3-9)5(6,7)8/h4H,2-3,9H2,1H3
InChIKeyDEOOXUPGJFOQEF-UHFFFAOYSA-N
MW141.14 g/mol
LogP1.53
Rot. Bonds2

About 2-(trifluoromethyl)butan-1-amine

2-(trifluoromethyl)butan-1-amine (PubChem CID 10351789) has the molecular formula C5H10F3N and a molecular weight of 141.14 g/mol. Its IUPAC name is 2-(trifluoromethyl)butan-1-amine.

Molecular Properties

Compound Name2-(trifluoromethyl)butan-1-amine
PubChem CID10351789
Molecular FormulaC5H10F3N
Molecular Weight141.14 g/mol
Exact Mass141.08
IUPAC Name2-(trifluoromethyl)butan-1-amine
SMILESCCC(CN)C(F)(F)F
InChIInChI=1S/C5H10F3N/c1-2-4(3-9)5(6,7)8/h4H,2-3,9H2,1H3
InChIKeyDEOOXUPGJFOQEF-UHFFFAOYSA-N
XLogP1.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.14
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N'-methyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366119
4,4,4-trifluoro-2-(trifluoromethyl)butan-1-amine
CID 82534528
(3R)-1,1,1-trifluoro-3-(trifluoromethyl)pentane
CID 170263516
N'-methyl-2-(trifluoromethyl)propane-1,3-diamine
CID 84716612
3,5-diethyl-4,4-difluoroheptane
CID 137390783
4-(aminomethyl)-3-ethylhexane-3-thiol
CID 174325507
4-(aminomethyl)hexane-3,3-diol
CID 175462556
2-[(4-ethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366077
N'-cyclopropyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366118
N'-ethyl-N'-(1-methoxypropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine
CID 103366264
N'-(2-ethoxyethyl)-N'-methyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366414
3,3,3-trifluoro-2-(pentylsulfanylmethyl)propan-1-amine
CID 107752230

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)butan-1-amine?
The IUPAC name of 2-(trifluoromethyl)butan-1-amine (CID 10351789) is 2-(trifluoromethyl)butan-1-amine.
What is the SMILES notation for 2-(trifluoromethyl)butan-1-amine?
The canonical SMILES for 2-(trifluoromethyl)butan-1-amine is CCC(CN)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)butan-1-amine?
The InChIKey is DEOOXUPGJFOQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3N/c1-2-4(3-9)5(6,7)8/h4H,2-3,9H2,1H3.
What are the key properties of 2-(trifluoromethyl)butan-1-amine?
2-(trifluoromethyl)butan-1-amine has a molecular weight of 141.14 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)butan-1-amine is sourced from PubChem (CID 10351789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).