ethane;7,7,7-trifluoro-3-methylhept-1-en-4-amine

C10H20F3N — CID 163278944

IUPACethane;7,7,7-trifluoro-3-methylhept-1-en-4-amine
SMILESC=CC(C)C(N)CCC(F)(F)F.CC
InChIInChI=1S/C8H14F3N.C2H6/c1-3-6(2)7(12)4-5-8(9,10)11;1-2/h3,6-7H,1,4-5,12H2,2H3;1-2H3
InChIKeyYLXAQOKICXCOQQ-UHFFFAOYSA-N
MW211.27 g/mol
LogP3.50
Rot. Bonds4

About ethane;7,7,7-trifluoro-3-methylhept-1-en-4-amine

ethane;7,7,7-trifluoro-3-methylhept-1-en-4-amine (PubChem CID 163278944) has the molecular formula C10H20F3N and a molecular weight of 211.27 g/mol. Its IUPAC name is ethane;7,7,7-trifluoro-3-methylhept-1-en-4-amine.

Molecular Properties

Compound Nameethane;7,7,7-trifluoro-3-methylhept-1-en-4-amine
PubChem CID163278944
Molecular FormulaC10H20F3N
Molecular Weight211.27 g/mol
Exact Mass211.15
IUPAC Nameethane;7,7,7-trifluoro-3-methylhept-1-en-4-amine
SMILESC=CC(C)C(N)CCC(F)(F)F.CC
InChIInChI=1S/C8H14F3N.C2H6/c1-3-6(2)7(12)4-5-8(9,10)11;1-2/h3,6-7H,1,4-5,12H2,2H3;1-2H3
InChIKeyYLXAQOKICXCOQQ-UHFFFAOYSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Methylhept-6-en-3-amine
CID 55284076
(3S)-2-methylhept-6-en-3-amine
CID 130038442
4-(Trifluoromethyl)hept-6-en-1-amine
CID 89153956
(2S)-3-(3-fluoropropyl)hex-5-en-2-amine
CID 89952050
1,1-Difluoro-6,6-dimethylhept-1-en-4-amine
CID 89957255
(4S)-1,1-difluoro-6,6-dimethylhept-1-en-4-amine
CID 122693960
1-(3,3-Difluorocyclobutyl)but-3-en-1-amine
CID 130907354
(Z)-4-ethenyl-9,9-difluorodec-6-en-3-amine
CID 135227277
(E)-1,1-difluoro-6-methylhept-2-en-4-amine
CID 154500853
7,7,7-trifluoro-N,6-dimethylhept-1-en-4-amine
CID 162600972
ethane;(4S)-7,7,7-trifluorohept-1-en-4-amine
CID 163278789
6,6-Difluorohept-1-en-4-amine
CID 163278942

Frequently Asked Questions

What is the IUPAC name of ethane;7,7,7-trifluoro-3-methylhept-1-en-4-amine?
The IUPAC name of ethane;7,7,7-trifluoro-3-methylhept-1-en-4-amine (CID 163278944) is ethane;7,7,7-trifluoro-3-methylhept-1-en-4-amine.
What is the SMILES notation for ethane;7,7,7-trifluoro-3-methylhept-1-en-4-amine?
The canonical SMILES for ethane;7,7,7-trifluoro-3-methylhept-1-en-4-amine is C=CC(C)C(N)CCC(F)(F)F.CC.
What is the InChIKey of ethane;7,7,7-trifluoro-3-methylhept-1-en-4-amine?
The InChIKey is YLXAQOKICXCOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N.C2H6/c1-3-6(2)7(12)4-5-8(9,10)11;1-2/h3,6-7H,1,4-5,12H2,2H3;1-2H3.
What are the key properties of ethane;7,7,7-trifluoro-3-methylhept-1-en-4-amine?
ethane;7,7,7-trifluoro-3-methylhept-1-en-4-amine has a molecular weight of 211.27 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7,7,7-trifluoro-3-methylhept-1-en-4-amine is sourced from PubChem (CID 163278944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).