1,1,1-trifluoro-N,N,4-trimethylheptan-2-amine

C10H20F3N — CID 175280673

IUPAC1,1,1-trifluoro-N,N,4-trimethylheptan-2-amine
SMILESCCCC(C)CC(N(C)C)C(F)(F)F
InChIInChI=1S/C10H20F3N/c1-5-6-8(2)7-9(14(3)4)10(11,12)13/h8-9H,5-7H2,1-4H3
InChIKeyQUMFIGXQGGCCOY-UHFFFAOYSA-N
MW211.27 g/mol
LogP3.31
Rot. Bonds5

About 1,1,1-trifluoro-N,N,4-trimethylheptan-2-amine

1,1,1-trifluoro-N,N,4-trimethylheptan-2-amine (PubChem CID 175280673) has the molecular formula C10H20F3N and a molecular weight of 211.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-N,N,4-trimethylheptan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N,N,4-trimethylheptan-2-amine
PubChem CID175280673
Molecular FormulaC10H20F3N
Molecular Weight211.27 g/mol
Exact Mass211.15
IUPAC Name1,1,1-trifluoro-N,N,4-trimethylheptan-2-amine
SMILESCCCC(C)CC(N(C)C)C(F)(F)F
InChIInChI=1S/C10H20F3N/c1-5-6-8(2)7-9(14(3)4)10(11,12)13/h8-9H,5-7H2,1-4H3
InChIKeyQUMFIGXQGGCCOY-UHFFFAOYSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 116914306
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
3,5,7,9,11,13,15-heptamethyloctadecane
CID 20645188
3,5,7,9-tetramethyldodecane
CID 91047062
(3R)-4,4,4-trifluoro-3-N,3-N-dimethylbutane-1,3-diamine
CID 129365506
1,1,1-trifluoro-5-methyloctan-3-ol
CID 62607846
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
N,N-dimethylmethanamine;3-methylhexane
CID 156791587
5-methyloctan-3-ol
CID 19931017
1,2-difluoro-4-methylheptane
CID 138528222

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N,N,4-trimethylheptan-2-amine?
The IUPAC name of 1,1,1-trifluoro-N,N,4-trimethylheptan-2-amine (CID 175280673) is 1,1,1-trifluoro-N,N,4-trimethylheptan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N,N,4-trimethylheptan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N,N,4-trimethylheptan-2-amine is CCCC(C)CC(N(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N,N,4-trimethylheptan-2-amine?
The InChIKey is QUMFIGXQGGCCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N/c1-5-6-8(2)7-9(14(3)4)10(11,12)13/h8-9H,5-7H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-N,N,4-trimethylheptan-2-amine?
1,1,1-trifluoro-N,N,4-trimethylheptan-2-amine has a molecular weight of 211.27 g/mol, XLogP of 3.31, 5 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,4-trimethylheptan-2-amine is sourced from PubChem (CID 175280673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).