N-(2,2-difluoroethyl)pent-1-en-2-amine

C7H13F2N — CID 88914820

IUPACN-(2,2-difluoroethyl)pent-1-en-2-amine
SMILESC=C(CCC)NCC(F)F
InChIInChI=1S/C7H13F2N/c1-3-4-6(2)10-5-7(8)9/h7,10H,2-5H2,1H3
InChIKeySKGXSYLCBUGNGD-UHFFFAOYSA-N
MW149.18 g/mol
LogP2.15
Rot. Bonds5

About N-(2,2-difluoroethyl)pent-1-en-2-amine

N-(2,2-difluoroethyl)pent-1-en-2-amine (PubChem CID 88914820) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)pent-1-en-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)pent-1-en-2-amine
PubChem CID88914820
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC NameN-(2,2-difluoroethyl)pent-1-en-2-amine
SMILESC=C(CCC)NCC(F)F
InChIInChI=1S/C7H13F2N/c1-3-4-6(2)10-5-7(8)9/h7,10H,2-5H2,1H3
InChIKeySKGXSYLCBUGNGD-UHFFFAOYSA-N
XLogP2.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)pent-1-en-2-amine?
The IUPAC name of N-(2,2-difluoroethyl)pent-1-en-2-amine (CID 88914820) is N-(2,2-difluoroethyl)pent-1-en-2-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)pent-1-en-2-amine?
The canonical SMILES for N-(2,2-difluoroethyl)pent-1-en-2-amine is C=C(CCC)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)pent-1-en-2-amine?
The InChIKey is SKGXSYLCBUGNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N/c1-3-4-6(2)10-5-7(8)9/h7,10H,2-5H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)pent-1-en-2-amine?
N-(2,2-difluoroethyl)pent-1-en-2-amine has a molecular weight of 149.18 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)pent-1-en-2-amine is sourced from PubChem (CID 88914820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).