1,1,1-trifluoro-N,6-dimethylheptan-2-amine

C9H18F3N — CID 105029014

IUPAC1,1,1-trifluoro-N,6-dimethylheptan-2-amine
SMILESCNC(CCCC(C)C)C(F)(F)F
InChIInChI=1S/C9H18F3N/c1-7(2)5-4-6-8(13-3)9(10,11)12/h7-8,13H,4-6H2,1-3H3
InChIKeyBJRACAHCTFBVAM-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.96
Rot. Bonds5

About 1,1,1-trifluoro-N,6-dimethylheptan-2-amine

1,1,1-trifluoro-N,6-dimethylheptan-2-amine (PubChem CID 105029014) has the molecular formula C9H18F3N and a molecular weight of 197.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-N,6-dimethylheptan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N,6-dimethylheptan-2-amine
PubChem CID105029014
Molecular FormulaC9H18F3N
Molecular Weight197.24 g/mol
Exact Mass197.14
IUPAC Name1,1,1-trifluoro-N,6-dimethylheptan-2-amine
SMILESCNC(CCCC(C)C)C(F)(F)F
InChIInChI=1S/C9H18F3N/c1-7(2)5-4-6-8(13-3)9(10,11)12/h7-8,13H,4-6H2,1-3H3
InChIKeyBJRACAHCTFBVAM-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 107011900
1,1,1-trifluoro-N-methyl-4-methylsulfanylbutan-2-amine
CID 55272632
1,1,1-trifluoro-N-methyl-5-morpholin-4-ylpentan-2-amine
CID 82534956
N,2,7-trimethyl-2-methylsulfonyloctan-3-amine
CID 105028788
3-ethoxy-3-ethyl-N,8-dimethylnonan-4-amine
CID 116760023
1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-ol
CID 103312619
N-ethyl-1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-amine
CID 103312243
6,6-difluoro-2,10-dimethylundecane
CID 169289858
1,1-difluoro-N,6-dimethylheptan-2-amine
CID 103517025
(2R)-1,1,1-trifluoro-7-methyloctan-2-ol
CID 18396357
3-ethyl-4-hydrazinyl-N,N,8-trimethylnonan-3-amine
CID 105241898
2-ethylsulfanyl-1,1,1-trifluoro-6-methylheptane
CID 166781344

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N,6-dimethylheptan-2-amine?
The IUPAC name of 1,1,1-trifluoro-N,6-dimethylheptan-2-amine (CID 105029014) is 1,1,1-trifluoro-N,6-dimethylheptan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N,6-dimethylheptan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N,6-dimethylheptan-2-amine is CNC(CCCC(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N,6-dimethylheptan-2-amine?
The InChIKey is BJRACAHCTFBVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N/c1-7(2)5-4-6-8(13-3)9(10,11)12/h7-8,13H,4-6H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-N,6-dimethylheptan-2-amine?
1,1,1-trifluoro-N,6-dimethylheptan-2-amine has a molecular weight of 197.24 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N,6-dimethylheptan-2-amine is sourced from PubChem (CID 105029014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).