(Z)-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine

C4H7F3N2 — CID 139452471

IUPAC(Z)-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine
SMILESCN/C=C(\N)C(F)(F)F
InChIInChI=1S/C4H7F3N2/c1-9-2-3(8)4(5,6)7/h2,9H,8H2,1H3/b3-2-
InChIKeyCVUNPRPCRZIPAT-IHWYPQMZSA-N
MW140.11 g/mol
LogP0.57
Rot. Bonds1

About (Z)-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine

(Z)-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine (PubChem CID 139452471) has the molecular formula C4H7F3N2 and a molecular weight of 140.11 g/mol. Its IUPAC name is (Z)-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine
PubChem CID139452471
Molecular FormulaC4H7F3N2
Molecular Weight140.11 g/mol
Exact Mass140.06
IUPAC Name(Z)-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine
SMILESCN/C=C(\N)C(F)(F)F
InChIInChI=1S/C4H7F3N2/c1-9-2-3(8)4(5,6)7/h2,9H,8H2,1H3/b3-2-
InChIKeyCVUNPRPCRZIPAT-IHWYPQMZSA-N
XLogP0.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.11
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-iodo-3-(trifluoromethyl)-1H-pyrazine
CID 87317231
(1E)-2-fluoro-3-N-methylbuta-1,3-diene-1,3-diamine
CID 89427091
(Z)-3,3,3-trifluoro-1-N,1-N,2-N-trimethylprop-1-ene-1,2-diamine
CID 129157915
(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
(Z)-1,3,3,3-tetrafluoro-N-methylprop-1-en-2-amine
CID 130418378
(Z)-1-N-ethyl-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine
CID 135265641
N-ethyl-3,3,3-trifluoroprop-1-en-2-amine
CID 144327432
(Z)-3,3-difluoro-2-N-methylprop-1-ene-1,2-diamine
CID 145303680
(Z)-3,3,3-trifluoro-1-N,1-N-dimethylprop-1-ene-1,2-diamine
CID 145429871
(Z)-3,3,3-trifluoro-2-N-methylprop-1-ene-1,2-diamine
CID 148321573
(Z)-3,3,3-trifluoro-2-N-methyl-1-N-propan-2-ylprop-1-ene-1,2-diamine
CID 154953422

Frequently Asked Questions

What is the IUPAC name of (Z)-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine?
The IUPAC name of (Z)-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine (CID 139452471) is (Z)-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine?
The canonical SMILES for (Z)-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine is CN/C=C(\N)C(F)(F)F.
What is the InChIKey of (Z)-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine?
The InChIKey is CVUNPRPCRZIPAT-IHWYPQMZSA-N. The full InChI is InChI=1S/C4H7F3N2/c1-9-2-3(8)4(5,6)7/h2,9H,8H2,1H3/b3-2-.
What are the key properties of (Z)-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine?
(Z)-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine has a molecular weight of 140.11 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine is sourced from PubChem (CID 139452471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).