1,1,1-trifluoro-N,4-dimethyl-N-propan-2-ylpentan-2-amine

C10H20F3N — CID 160649034

IUPAC1,1,1-trifluoro-N,4-dimethyl-N-propan-2-ylpentan-2-amine
SMILESCC(C)CC(N(C)C(C)C)C(F)(F)F
InChIInChI=1S/C10H20F3N/c1-7(2)6-9(10(11,12)13)14(5)8(3)4/h7-9H,6H2,1-5H3
InChIKeyUOSSJWBTUNQXCU-UHFFFAOYSA-N
MW211.27 g/mol
LogP3.30
Rot. Bonds4

About 1,1,1-trifluoro-N,4-dimethyl-N-propan-2-ylpentan-2-amine

1,1,1-trifluoro-N,4-dimethyl-N-propan-2-ylpentan-2-amine (PubChem CID 160649034) has the molecular formula C10H20F3N and a molecular weight of 211.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-N,4-dimethyl-N-propan-2-ylpentan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N,4-dimethyl-N-propan-2-ylpentan-2-amine
PubChem CID160649034
Molecular FormulaC10H20F3N
Molecular Weight211.27 g/mol
Exact Mass211.15
IUPAC Name1,1,1-trifluoro-N,4-dimethyl-N-propan-2-ylpentan-2-amine
SMILESCC(C)CC(N(C)C(C)C)C(F)(F)F
InChIInChI=1S/C10H20F3N/c1-7(2)6-9(10(11,12)13)14(5)8(3)4/h7-9H,6H2,1-5H3
InChIKeyUOSSJWBTUNQXCU-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N,4-dimethyl-N-propan-2-ylpentan-2-amine?
The IUPAC name of 1,1,1-trifluoro-N,4-dimethyl-N-propan-2-ylpentan-2-amine (CID 160649034) is 1,1,1-trifluoro-N,4-dimethyl-N-propan-2-ylpentan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N,4-dimethyl-N-propan-2-ylpentan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N,4-dimethyl-N-propan-2-ylpentan-2-amine is CC(C)CC(N(C)C(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N,4-dimethyl-N-propan-2-ylpentan-2-amine?
The InChIKey is UOSSJWBTUNQXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N/c1-7(2)6-9(10(11,12)13)14(5)8(3)4/h7-9H,6H2,1-5H3.
What are the key properties of 1,1,1-trifluoro-N,4-dimethyl-N-propan-2-ylpentan-2-amine?
1,1,1-trifluoro-N,4-dimethyl-N-propan-2-ylpentan-2-amine has a molecular weight of 211.27 g/mol, XLogP of 3.30, 4 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,4-dimethyl-N-propan-2-ylpentan-2-amine is sourced from PubChem (CID 160649034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).