4,4,4-trifluoro-N,3-dimethyl-N-propan-2-ylbutan-1-amine

C9H18F3N — CID 143734656

IUPAC4,4,4-trifluoro-N,3-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)N(C)CCC(C)C(F)(F)F
InChIInChI=1S/C9H18F3N/c1-7(2)13(4)6-5-8(3)9(10,11)12/h7-8H,5-6H2,1-4H3
InChIKeyQLJGRTLPAKSDEV-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.92
Rot. Bonds4

About 4,4,4-trifluoro-N,3-dimethyl-N-propan-2-ylbutan-1-amine

4,4,4-trifluoro-N,3-dimethyl-N-propan-2-ylbutan-1-amine (PubChem CID 143734656) has the molecular formula C9H18F3N and a molecular weight of 197.24 g/mol. Its IUPAC name is 4,4,4-trifluoro-N,3-dimethyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N,3-dimethyl-N-propan-2-ylbutan-1-amine
PubChem CID143734656
Molecular FormulaC9H18F3N
Molecular Weight197.24 g/mol
Exact Mass197.14
IUPAC Name4,4,4-trifluoro-N,3-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)N(C)CCC(C)C(F)(F)F
InChIInChI=1S/C9H18F3N/c1-7(2)13(4)6-5-8(3)9(10,11)12/h7-8H,5-6H2,1-4H3
InChIKeyQLJGRTLPAKSDEV-UHFFFAOYSA-N
XLogP2.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,4,4-trifluoro-3-methylbutan-1-amine
CID 10464414
(3R)-N,3-dimethyl-N-propan-2-ylpentan-1-amine;hydrofluoride
CID 176934799
(3S)-N,3,5-trimethyl-N-propan-2-ylhexan-1-amine
CID 158122452
(3S)-N,3,4,4-tetramethyl-N-[(2S)-3-methylbutan-2-yl]pentan-1-amine
CID 170065203
N-methyl-N-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]propan-2-amine
CID 178108544
3,3-difluoro-N,N-dimethylbutan-1-amine;ethane;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine
CID 172563999
N'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine
CID 64554827
3-cyclopropyl-N-methyl-N-propan-2-ylbutan-1-amine
CID 177203933
methane;1,1,1-trifluoro-2-methylhexane
CID 161476124
4,4,4-trifluoro-N,3-dimethylbutan-1-amine
CID 83682052
N-methyl-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine
CID 58105681
ethane;4-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]pentanal
CID 177353129

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N,3-dimethyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N,3-dimethyl-N-propan-2-ylbutan-1-amine (CID 143734656) is 4,4,4-trifluoro-N,3-dimethyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N,3-dimethyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N,3-dimethyl-N-propan-2-ylbutan-1-amine is CC(C)N(C)CCC(C)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N,3-dimethyl-N-propan-2-ylbutan-1-amine?
The InChIKey is QLJGRTLPAKSDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N/c1-7(2)13(4)6-5-8(3)9(10,11)12/h7-8H,5-6H2,1-4H3.
What are the key properties of 4,4,4-trifluoro-N,3-dimethyl-N-propan-2-ylbutan-1-amine?
4,4,4-trifluoro-N,3-dimethyl-N-propan-2-ylbutan-1-amine has a molecular weight of 197.24 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N,3-dimethyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 143734656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).