(4S)-1,1,1,2,2,3,3-heptafluorooct-7-en-4-amine

C8H10F7N — CID 171229978

IUPAC(4S)-1,1,1,2,2,3,3-heptafluorooct-7-en-4-amine
SMILESC=CCC[C@H](N)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F7N/c1-2-3-4-5(16)6(9,10)7(11,12)8(13,14)15/h2,5H,1,3-4,16H2/t5-/m0/s1
InChIKeyTXLBZSJKRJASLM-YFKPBYRVSA-N
MW253.16 g/mol
LogP3.11
Rot. Bonds5

About (4S)-1,1,1,2,2,3,3-heptafluorooct-7-en-4-amine

(4S)-1,1,1,2,2,3,3-heptafluorooct-7-en-4-amine (PubChem CID 171229978) has the molecular formula C8H10F7N and a molecular weight of 253.16 g/mol. Its IUPAC name is (4S)-1,1,1,2,2,3,3-heptafluorooct-7-en-4-amine.

Molecular Properties

Compound Name(4S)-1,1,1,2,2,3,3-heptafluorooct-7-en-4-amine
PubChem CID171229978
Molecular FormulaC8H10F7N
Molecular Weight253.16 g/mol
Exact Mass253.07
IUPAC Name(4S)-1,1,1,2,2,3,3-heptafluorooct-7-en-4-amine
SMILESC=CCC[C@H](N)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F7N/c1-2-3-4-5(16)6(9,10)7(11,12)8(13,14)15/h2,5H,1,3-4,16H2/t5-/m0/s1
InChIKeyTXLBZSJKRJASLM-YFKPBYRVSA-N
XLogP3.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.16
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5R)-6,6,7,7,8,8,8-heptafluorooctane-1,5-diamine
CID 171210339
(3S)-4,4,5,5,6,6,6-heptafluorohex-1-en-3-amine
CID 171229946
(3R)-4,4,5,5,6,6,6-heptafluorohexan-3-amine;hydrochloride
CID 171210343
2-N,2-N,2-trimethylhept-6-ene-2,3-diamine
CID 79053697
7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-henicosafluorohexadec-1-en-5-ol
CID 154477196
(4S)-octa-1,7-dien-4-amine
CID 124537914
6,6,7,7,8,8,9,9,9-nonafluoronon-1-ene
CID 88655543
(2S)-3,3,4,4,5,5,5-heptafluoropentan-2-amine
CID 96572524
(1S)-1-[3-fluoro-2-(trifluoromethyl)phenyl]pent-4-en-1-amine
CID 171231044
1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine
CID 103475200
(1R)-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-amine;hydrochloride
CID 171199075
6-(trifluoromethoxy)-5-(trifluoromethoxymethyl)hex-1-ene
CID 58219567

Frequently Asked Questions

What is the IUPAC name of (4S)-1,1,1,2,2,3,3-heptafluorooct-7-en-4-amine?
The IUPAC name of (4S)-1,1,1,2,2,3,3-heptafluorooct-7-en-4-amine (CID 171229978) is (4S)-1,1,1,2,2,3,3-heptafluorooct-7-en-4-amine.
What is the SMILES notation for (4S)-1,1,1,2,2,3,3-heptafluorooct-7-en-4-amine?
The canonical SMILES for (4S)-1,1,1,2,2,3,3-heptafluorooct-7-en-4-amine is C=CCC[C@H](N)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (4S)-1,1,1,2,2,3,3-heptafluorooct-7-en-4-amine?
The InChIKey is TXLBZSJKRJASLM-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H10F7N/c1-2-3-4-5(16)6(9,10)7(11,12)8(13,14)15/h2,5H,1,3-4,16H2/t5-/m0/s1.
What are the key properties of (4S)-1,1,1,2,2,3,3-heptafluorooct-7-en-4-amine?
(4S)-1,1,1,2,2,3,3-heptafluorooct-7-en-4-amine has a molecular weight of 253.16 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1,1,1,2,2,3,3-heptafluorooct-7-en-4-amine is sourced from PubChem (CID 171229978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).