1,1,1-trifluoro-N,N-dimethylpentan-2-amine

C7H14F3N — CID 116914306

IUPAC1,1,1-trifluoro-N,N-dimethylpentan-2-amine
SMILESCCCC(N(C)C)C(F)(F)F
InChIInChI=1S/C7H14F3N/c1-4-5-6(11(2)3)7(8,9)10/h6H,4-5H2,1-3H3
InChIKeyLWRCYEVPJLAOLE-UHFFFAOYSA-N
MW169.19 g/mol
LogP2.28
Rot. Bonds3

About 1,1,1-trifluoro-N,N-dimethylpentan-2-amine

1,1,1-trifluoro-N,N-dimethylpentan-2-amine (PubChem CID 116914306) has the molecular formula C7H14F3N and a molecular weight of 169.19 g/mol. Its IUPAC name is 1,1,1-trifluoro-N,N-dimethylpentan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N,N-dimethylpentan-2-amine
PubChem CID116914306
Molecular FormulaC7H14F3N
Molecular Weight169.19 g/mol
Exact Mass169.11
IUPAC Name1,1,1-trifluoro-N,N-dimethylpentan-2-amine
SMILESCCCC(N(C)C)C(F)(F)F
InChIInChI=1S/C7H14F3N/c1-4-5-6(11(2)3)7(8,9)10/h6H,4-5H2,1-3H3
InChIKeyLWRCYEVPJLAOLE-UHFFFAOYSA-N
XLogP2.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1-trifluoro-N,N,4-trimethylheptan-2-amine
CID 175280673
1,1,1-trifluoro-N-methyl-N-propan-2-ylpentan-2-amine
CID 163257968
1,1,1-trifluoro-N-methyl-N-propylpentan-2-amine
CID 150612178
(3R)-4,4,4-trifluoro-3-N,3-N-dimethylbutane-1,3-diamine
CID 129365506
methyl 3-(dimethylamino)-2,2-dimethylhexanoate
CID 116910329
(2R)-1,1,1-trifluoropentan-2-amine
CID 56604220
(2R)-1,1,1-trifluoropentan-2-ol
CID 13299815
N,N,2-trimethyl-2-piperazin-1-ylhexan-3-amine
CID 116914005
(3R)-2-methyl-3-(trifluoromethyl)hexane
CID 122598619
N,N-dimethylheptan-4-amine;hydrochloride
CID 138400485
3,3,3-trifluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 63982622
4-(2-fluoropropan-2-yl)heptane
CID 143311381

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N,N-dimethylpentan-2-amine?
The IUPAC name of 1,1,1-trifluoro-N,N-dimethylpentan-2-amine (CID 116914306) is 1,1,1-trifluoro-N,N-dimethylpentan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N,N-dimethylpentan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N,N-dimethylpentan-2-amine is CCCC(N(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N,N-dimethylpentan-2-amine?
The InChIKey is LWRCYEVPJLAOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N/c1-4-5-6(11(2)3)7(8,9)10/h6H,4-5H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-N,N-dimethylpentan-2-amine?
1,1,1-trifluoro-N,N-dimethylpentan-2-amine has a molecular weight of 169.19 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N,N-dimethylpentan-2-amine is sourced from PubChem (CID 116914306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).