(E)-N-(2,2-difluoroethyl)prop-1-en-1-amine

C5H9F2N — CID 126738539

IUPAC(E)-N-(2,2-difluoroethyl)prop-1-en-1-amine
SMILESC/C=C/NCC(F)F
InChIInChI=1S/C5H9F2N/c1-2-3-8-4-5(6)7/h2-3,5,8H,4H2,1H3/b3-2+
InChIKeySUCBODOJVCEAAJ-NSCUHMNNSA-N
MW121.13 g/mol
LogP1.37
Rot. Bonds3

About (E)-N-(2,2-difluoroethyl)prop-1-en-1-amine

(E)-N-(2,2-difluoroethyl)prop-1-en-1-amine (PubChem CID 126738539) has the molecular formula C5H9F2N and a molecular weight of 121.13 g/mol. Its IUPAC name is (E)-N-(2,2-difluoroethyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-(2,2-difluoroethyl)prop-1-en-1-amine
PubChem CID126738539
Molecular FormulaC5H9F2N
Molecular Weight121.13 g/mol
Exact Mass121.07
IUPAC Name(E)-N-(2,2-difluoroethyl)prop-1-en-1-amine
SMILESC/C=C/NCC(F)F
InChIInChI=1S/C5H9F2N/c1-2-3-8-4-5(6)7/h2-3,5,8H,4H2,1H3/b3-2+
InChIKeySUCBODOJVCEAAJ-NSCUHMNNSA-N
XLogP1.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.13
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Ethyl propylenamine
CID 11446289
Methyl propylene amine
CID 12676328
Ethyl(1-propenyl)amine
CID 53718914
Di(1-propenyl)amine
CID 54562818
n-Propyl 1-propenylamine
CID 73861099
N-propenylprop-2-en-1-amine
CID 129748605
(Z)-N-(2,2-difluoroethyl)prop-1-en-1-amine
CID 87692914
(Z)-4,4,4-trifluoro-3-N-methylbut-1-ene-1,3-diamine
CID 126727990
(1E)-2-fluoro-N-methylbuta-1,3-dien-1-amine
CID 129130711
(1E)-N-ethyl-1-fluorobuta-1,3-dien-1-amine
CID 134581899
(E)-1-fluoro-N-[(Z)-prop-1-enyl]but-2-en-1-amine
CID 142089117
(Z)-3-N-methyl-1-N-(2,2,2-trifluoroethyl)but-1-ene-1,3-diamine
CID 143707877

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,2-difluoroethyl)prop-1-en-1-amine?
The IUPAC name of (E)-N-(2,2-difluoroethyl)prop-1-en-1-amine (CID 126738539) is (E)-N-(2,2-difluoroethyl)prop-1-en-1-amine.
What is the SMILES notation for (E)-N-(2,2-difluoroethyl)prop-1-en-1-amine?
The canonical SMILES for (E)-N-(2,2-difluoroethyl)prop-1-en-1-amine is C/C=C/NCC(F)F.
What is the InChIKey of (E)-N-(2,2-difluoroethyl)prop-1-en-1-amine?
The InChIKey is SUCBODOJVCEAAJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H9F2N/c1-2-3-8-4-5(6)7/h2-3,5,8H,4H2,1H3/b3-2+.
What are the key properties of (E)-N-(2,2-difluoroethyl)prop-1-en-1-amine?
(E)-N-(2,2-difluoroethyl)prop-1-en-1-amine has a molecular weight of 121.13 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,2-difluoroethyl)prop-1-en-1-amine is sourced from PubChem (CID 126738539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).