(E)-2,4-difluoro-N-methylhex-3-en-3-amine

C7H13F2N — CID 166983837

IUPAC(E)-2,4-difluoro-N-methylhex-3-en-3-amine
SMILESCC/C(F)=C(\NC)C(C)F
InChIInChI=1S/C7H13F2N/c1-4-6(9)7(10-3)5(2)8/h5,10H,4H2,1-3H3/b7-6+
InChIKeyZOQJTTKEMZKVSC-VOTSOKGWSA-N
MW149.18 g/mol
LogP2.15
Rot. Bonds3

About (E)-2,4-difluoro-N-methylhex-3-en-3-amine

(E)-2,4-difluoro-N-methylhex-3-en-3-amine (PubChem CID 166983837) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is (E)-2,4-difluoro-N-methylhex-3-en-3-amine.

Molecular Properties

Compound Name(E)-2,4-difluoro-N-methylhex-3-en-3-amine
PubChem CID166983837
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Name(E)-2,4-difluoro-N-methylhex-3-en-3-amine
SMILESCC/C(F)=C(\NC)C(C)F
InChIInChI=1S/C7H13F2N/c1-4-6(9)7(10-3)5(2)8/h5,10H,4H2,1-3H3/b7-6+
InChIKeyZOQJTTKEMZKVSC-VOTSOKGWSA-N
XLogP2.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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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Related Compounds

(Z)-3-fluoro-N-methylpent-2-en-2-amine
CID 89419652
(E)-N-(fluoromethyl)hex-3-en-3-amine
CID 129273358
N-ethyl-3,4,4,5,5,5-hexafluoropent-2-en-2-amine
CID 140967621
(E)-2-fluoro-N,4-dimethylhex-3-en-3-amine
CID 164048858
(E)-2-fluoro-N-methylpent-2-en-3-amine
CID 166810936
(4R)-4-fluoro-N-methylpent-2-en-3-amine
CID 166850497
(Z)-4-fluoro-N-methylhex-3-en-3-amine
CID 170097041
(E)-4-fluoro-3-N,4-dimethylpent-2-ene-2,3-diamine
CID 172283266
4-fluoro-5-methyl-2,3-dihydro-1H-pyrrole
CID 174781629
(Z)-1,1-difluoro-2-N-methylpent-2-ene-2,3-diamine
CID 177327776
(Z)-N-ethyl-2-fluoropent-2-en-3-amine
CID 142967863
(Z)-3-N-methylpent-2-ene-2,3-diamine
CID 23379932

Frequently Asked Questions

What is the IUPAC name of (E)-2,4-difluoro-N-methylhex-3-en-3-amine?
The IUPAC name of (E)-2,4-difluoro-N-methylhex-3-en-3-amine (CID 166983837) is (E)-2,4-difluoro-N-methylhex-3-en-3-amine.
What is the SMILES notation for (E)-2,4-difluoro-N-methylhex-3-en-3-amine?
The canonical SMILES for (E)-2,4-difluoro-N-methylhex-3-en-3-amine is CC/C(F)=C(\NC)C(C)F.
What is the InChIKey of (E)-2,4-difluoro-N-methylhex-3-en-3-amine?
The InChIKey is ZOQJTTKEMZKVSC-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H13F2N/c1-4-6(9)7(10-3)5(2)8/h5,10H,4H2,1-3H3/b7-6+.
What are the key properties of (E)-2,4-difluoro-N-methylhex-3-en-3-amine?
(E)-2,4-difluoro-N-methylhex-3-en-3-amine has a molecular weight of 149.18 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,4-difluoro-N-methylhex-3-en-3-amine is sourced from PubChem (CID 166983837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).