N-(4,4,4-trifluorobutyl)hexan-2-amine

C10H20F3N — CID 81343735

IUPACN-(4,4,4-trifluorobutyl)hexan-2-amine
SMILESCCCCC(C)NCCCC(F)(F)F
InChIInChI=1S/C10H20F3N/c1-3-4-6-9(2)14-8-5-7-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyPMZZNKBMKBYPAP-UHFFFAOYSA-N
MW211.27 g/mol
LogP3.50
Rot. Bonds7

About N-(4,4,4-trifluorobutyl)hexan-2-amine

N-(4,4,4-trifluorobutyl)hexan-2-amine (PubChem CID 81343735) has the molecular formula C10H20F3N and a molecular weight of 211.27 g/mol. Its IUPAC name is N-(4,4,4-trifluorobutyl)hexan-2-amine.

Molecular Properties

Compound NameN-(4,4,4-trifluorobutyl)hexan-2-amine
PubChem CID81343735
Molecular FormulaC10H20F3N
Molecular Weight211.27 g/mol
Exact Mass211.15
IUPAC NameN-(4,4,4-trifluorobutyl)hexan-2-amine
SMILESCCCCC(C)NCCCC(F)(F)F
InChIInChI=1S/C10H20F3N/c1-3-4-6-9(2)14-8-5-7-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyPMZZNKBMKBYPAP-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluorobutyl)hexan-2-amine?
The IUPAC name of N-(4,4,4-trifluorobutyl)hexan-2-amine (CID 81343735) is N-(4,4,4-trifluorobutyl)hexan-2-amine.
What is the SMILES notation for N-(4,4,4-trifluorobutyl)hexan-2-amine?
The canonical SMILES for N-(4,4,4-trifluorobutyl)hexan-2-amine is CCCCC(C)NCCCC(F)(F)F.
What is the InChIKey of N-(4,4,4-trifluorobutyl)hexan-2-amine?
The InChIKey is PMZZNKBMKBYPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N/c1-3-4-6-9(2)14-8-5-7-10(11,12)13/h9,14H,3-8H2,1-2H3.
What are the key properties of N-(4,4,4-trifluorobutyl)hexan-2-amine?
N-(4,4,4-trifluorobutyl)hexan-2-amine has a molecular weight of 211.27 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluorobutyl)hexan-2-amine is sourced from PubChem (CID 81343735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).