N-(2,2-difluoropropyl)-N,3-dimethylbutan-1-amine

C9H19F2N — CID 134269888

IUPACN-(2,2-difluoropropyl)-N,3-dimethylbutan-1-amine
SMILESCC(C)CCN(C)CC(C)(F)F
InChIInChI=1S/C9H19F2N/c1-8(2)5-6-12(4)7-9(3,10)11/h8H,5-7H2,1-4H3
InChIKeyUNJIHGKUSRBHGP-UHFFFAOYSA-N
MW179.25 g/mol
LogP2.62
Rot. Bonds5

About N-(2,2-difluoropropyl)-N,3-dimethylbutan-1-amine

N-(2,2-difluoropropyl)-N,3-dimethylbutan-1-amine (PubChem CID 134269888) has the molecular formula C9H19F2N and a molecular weight of 179.25 g/mol. Its IUPAC name is N-(2,2-difluoropropyl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoropropyl)-N,3-dimethylbutan-1-amine
PubChem CID134269888
Molecular FormulaC9H19F2N
Molecular Weight179.25 g/mol
Exact Mass179.15
IUPAC NameN-(2,2-difluoropropyl)-N,3-dimethylbutan-1-amine
SMILESCC(C)CCN(C)CC(C)(F)F
InChIInChI=1S/C9H19F2N/c1-8(2)5-6-12(4)7-9(3,10)11/h8H,5-7H2,1-4H3
InChIKeyUNJIHGKUSRBHGP-UHFFFAOYSA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoropropyl)-N,3-dimethylbutan-1-amine?
The IUPAC name of N-(2,2-difluoropropyl)-N,3-dimethylbutan-1-amine (CID 134269888) is N-(2,2-difluoropropyl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for N-(2,2-difluoropropyl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for N-(2,2-difluoropropyl)-N,3-dimethylbutan-1-amine is CC(C)CCN(C)CC(C)(F)F.
What is the InChIKey of N-(2,2-difluoropropyl)-N,3-dimethylbutan-1-amine?
The InChIKey is UNJIHGKUSRBHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2N/c1-8(2)5-6-12(4)7-9(3,10)11/h8H,5-7H2,1-4H3.
What are the key properties of N-(2,2-difluoropropyl)-N,3-dimethylbutan-1-amine?
N-(2,2-difluoropropyl)-N,3-dimethylbutan-1-amine has a molecular weight of 179.25 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoropropyl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 134269888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).