N-butyl-N-(1,1-difluoroethyl)butan-1-amine

C10H21F2N — CID 57486589

IUPACN-butyl-N-(1,1-difluoroethyl)butan-1-amine
SMILESCCCCN(CCCC)C(C)(F)F
InChIInChI=1S/C10H21F2N/c1-4-6-8-13(9-7-5-2)10(3,11)12/h4-9H2,1-3H3
InChIKeyJHALESJKQUTMFV-UHFFFAOYSA-N
MW193.28 g/mol
LogP3.50
Rot. Bonds7

About N-butyl-N-(1,1-difluoroethyl)butan-1-amine

N-butyl-N-(1,1-difluoroethyl)butan-1-amine (PubChem CID 57486589) has the molecular formula C10H21F2N and a molecular weight of 193.28 g/mol. Its IUPAC name is N-butyl-N-(1,1-difluoroethyl)butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-(1,1-difluoroethyl)butan-1-amine
PubChem CID57486589
Molecular FormulaC10H21F2N
Molecular Weight193.28 g/mol
Exact Mass193.16
IUPAC NameN-butyl-N-(1,1-difluoroethyl)butan-1-amine
SMILESCCCCN(CCCC)C(C)(F)F
InChIInChI=1S/C10H21F2N/c1-4-6-8-13(9-7-5-2)10(3,11)12/h4-9H2,1-3H3
InChIKeyJHALESJKQUTMFV-UHFFFAOYSA-N
XLogP3.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(1,1-difluoroethyl)butan-1-amine?
The IUPAC name of N-butyl-N-(1,1-difluoroethyl)butan-1-amine (CID 57486589) is N-butyl-N-(1,1-difluoroethyl)butan-1-amine.
What is the SMILES notation for N-butyl-N-(1,1-difluoroethyl)butan-1-amine?
The canonical SMILES for N-butyl-N-(1,1-difluoroethyl)butan-1-amine is CCCCN(CCCC)C(C)(F)F.
What is the InChIKey of N-butyl-N-(1,1-difluoroethyl)butan-1-amine?
The InChIKey is JHALESJKQUTMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2N/c1-4-6-8-13(9-7-5-2)10(3,11)12/h4-9H2,1-3H3.
What are the key properties of N-butyl-N-(1,1-difluoroethyl)butan-1-amine?
N-butyl-N-(1,1-difluoroethyl)butan-1-amine has a molecular weight of 193.28 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(1,1-difluoroethyl)butan-1-amine is sourced from PubChem (CID 57486589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).