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

C5H9F2N — CID 146616968

IUPACN-(2,2-difluoroethyl)prop-1-en-2-amine
SMILESC=C(C)NCC(F)F
InChIInChI=1S/C5H9F2N/c1-4(2)8-3-5(6)7/h5,8H,1,3H2,2H3
InChIKeyIVEOJYJDAKVAHW-UHFFFAOYSA-N
MW121.13 g/mol
LogP1.37
Rot. Bonds3

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

N-(2,2-difluoroethyl)prop-1-en-2-amine (PubChem CID 146616968) has the molecular formula C5H9F2N and a molecular weight of 121.13 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)prop-1-en-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)prop-1-en-2-amine
PubChem CID146616968
Molecular FormulaC5H9F2N
Molecular Weight121.13 g/mol
Exact Mass121.07
IUPAC NameN-(2,2-difluoroethyl)prop-1-en-2-amine
SMILESC=C(C)NCC(F)F
InChIInChI=1S/C5H9F2N/c1-4(2)8-3-5(6)7/h5,8H,1,3H2,2H3
InChIKeyIVEOJYJDAKVAHW-UHFFFAOYSA-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

N-ethylprop-1-en-2-amine
CID 11170914
1-N-(2,2-difluoroethyl)prop-2-ene-1,2-diamine
CID 88529859
3-fluoro-N-propylbut-1-en-2-amine
CID 88874456
N-(2,2-difluoroethyl)pent-1-en-2-amine
CID 88914820
(Z)-3,3,3-trifluoro-1-N,2-N-dimethylprop-1-ene-1,2-diamine
CID 129158230
3,3,3-trifluoro-N-methylprop-1-en-2-amine
CID 129272081
1,1,2,2-tetrafluoro-N'-prop-1-en-2-yl-N,N-bis(trifluoromethyl)propane-1,3-diamine
CID 130277887
3,3,3-trifluoro-N-propan-2-ylprop-1-en-2-amine
CID 131598533
3,3-difluoro-N-propan-2-ylbut-1-en-2-amine
CID 131998087
(Z)-2-fluoro-N-prop-1-en-2-ylprop-1-en-1-amine
CID 131999490
N-(2,2,2-trifluoroethyl)prop-1-en-2-amine
CID 134356739
1,1,1-trifluoro-N-prop-1-en-2-ylpropan-2-amine
CID 137506754

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)prop-1-en-2-amine?
The IUPAC name of N-(2,2-difluoroethyl)prop-1-en-2-amine (CID 146616968) is N-(2,2-difluoroethyl)prop-1-en-2-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)prop-1-en-2-amine?
The canonical SMILES for N-(2,2-difluoroethyl)prop-1-en-2-amine is C=C(C)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)prop-1-en-2-amine?
The InChIKey is IVEOJYJDAKVAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N/c1-4(2)8-3-5(6)7/h5,8H,1,3H2,2H3.
What are the key properties of N-(2,2-difluoroethyl)prop-1-en-2-amine?
N-(2,2-difluoroethyl)prop-1-en-2-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 N-(2,2-difluoroethyl)prop-1-en-2-amine is sourced from PubChem (CID 146616968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).