7,7,7-trifluoro-3-methylheptan-1-amine

C8H16F3N — CID 116536083

IUPAC7,7,7-trifluoro-3-methylheptan-1-amine
SMILESCC(CCN)CCCC(F)(F)F
InChIInChI=1S/C8H16F3N/c1-7(4-6-12)3-2-5-8(9,10)11/h7H,2-6,12H2,1H3
InChIKeyYSTODVMLZQEUAR-UHFFFAOYSA-N
MW183.22 g/mol
LogP2.70
Rot. Bonds5

About 7,7,7-trifluoro-3-methylheptan-1-amine

7,7,7-trifluoro-3-methylheptan-1-amine (PubChem CID 116536083) has the molecular formula C8H16F3N and a molecular weight of 183.22 g/mol. Its IUPAC name is 7,7,7-trifluoro-3-methylheptan-1-amine.

Molecular Properties

Compound Name7,7,7-trifluoro-3-methylheptan-1-amine
PubChem CID116536083
Molecular FormulaC8H16F3N
Molecular Weight183.22 g/mol
Exact Mass183.12
IUPAC Name7,7,7-trifluoro-3-methylheptan-1-amine
SMILESCC(CCN)CCCC(F)(F)F
InChIInChI=1S/C8H16F3N/c1-7(4-6-12)3-2-5-8(9,10)11/h7H,2-6,12H2,1H3
InChIKeyYSTODVMLZQEUAR-UHFFFAOYSA-N
XLogP2.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N'-(5,5,5-trifluoropentyl)hexane-1,6-diamine
CID 115520404
6-amino-4-methyl-N-(4,4,4-trifluorobutyl)hexanamide
CID 113327466
7-methoxy-3,7-dimethyloctan-1-amine
CID 102547373
ethane;1,1,1,7,7,7-hexafluoro-4-methylheptane
CID 169212435
4-amino-2-methyl-N-(4,4,4-trifluorobutyl)butanamide
CID 115519191
6,6,6-trifluoro-N,2-dimethylhexan-1-amine
CID 116536282
(3R)-3,7-dimethyloctan-1-amine
CID 92974894
1,1,1,9,9,9-hexafluoro-5-propan-2-ylnonane
CID 162503519
(3R)-3,11-dimethyldodecan-1-amine
CID 118054380
8,8,8-trifluoro-5-methyloctanoic acid
CID 87995359
1,1,1-trifluoro-4-methyldecane
CID 147899191
9-amino-2,6-dimethylnonan-2-ol
CID 55254540

Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-3-methylheptan-1-amine?
The IUPAC name of 7,7,7-trifluoro-3-methylheptan-1-amine (CID 116536083) is 7,7,7-trifluoro-3-methylheptan-1-amine.
What is the SMILES notation for 7,7,7-trifluoro-3-methylheptan-1-amine?
The canonical SMILES for 7,7,7-trifluoro-3-methylheptan-1-amine is CC(CCN)CCCC(F)(F)F.
What is the InChIKey of 7,7,7-trifluoro-3-methylheptan-1-amine?
The InChIKey is YSTODVMLZQEUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N/c1-7(4-6-12)3-2-5-8(9,10)11/h7H,2-6,12H2,1H3.
What are the key properties of 7,7,7-trifluoro-3-methylheptan-1-amine?
7,7,7-trifluoro-3-methylheptan-1-amine has a molecular weight of 183.22 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-3-methylheptan-1-amine is sourced from PubChem (CID 116536083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).