1-pent-4-enoxy-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene

C14H15F3O — CID 176899798

IUPAC1-pent-4-enoxy-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene
SMILESC=CCCCOc1ccc(C(=C)C(F)(F)F)cc1
InChIInChI=1S/C14H15F3O/c1-3-4-5-10-18-13-8-6-12(7-9-13)11(2)14(15,16)17/h3,6-9H,1-2,4-5,10H2
InChIKeyLRXZLFHTYCEZIS-UHFFFAOYSA-N
MW256.27 g/mol
LogP4.61
Rot. Bonds6

About 1-pent-4-enoxy-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene

1-pent-4-enoxy-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene (PubChem CID 176899798) has the molecular formula C14H15F3O and a molecular weight of 256.27 g/mol. Its IUPAC name is 1-pent-4-enoxy-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene.

Molecular Properties

Compound Name1-pent-4-enoxy-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene
PubChem CID176899798
Molecular FormulaC14H15F3O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name1-pent-4-enoxy-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene
SMILESC=CCCCOc1ccc(C(=C)C(F)(F)F)cc1
InChIInChI=1S/C14H15F3O/c1-3-4-5-10-18-13-8-6-12(7-9-13)11(2)14(15,16)17/h3,6-9H,1-2,4-5,10H2
InChIKeyLRXZLFHTYCEZIS-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-pent-4-enoxyphenyl)benzoic acid
CID 19419405
[1,4-dihydroxy-4-(4-pent-4-enoxybenzoyl)cyclohexa-2,5-dien-1-yl]-(4-pent-4-enoxyphenyl)methanone
CID 68509388
(4-hex-5-enoxyphenyl) 4-hex-5-enoxybenzoate
CID 86174635
4-undec-10-enoxybenzoate
CID 7009276
4-[(4-hex-5-enoxyphenyl)diazenyl]benzoic acid
CID 102225423
4-(2-pent-4-enoxyethoxy)benzohydrazide
CID 79114465
1-methoxy-4-(4-pent-4-enoxyphenoxy)benzene
CID 144875498
1-pent-4-enoxy-4-propan-2-ylbenzene
CID 64764392
4-(8-but-3-enoxyoctoxy)benzoic acid
CID 19797910
1-ethenyl-4-hex-5-enoxybenzene
CID 86167911
2,3-difluoro-1-methyl-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene
CID 69030505
3-pent-4-enoxy-5-(trifluoromethyl)benzoic acid
CID 66818587

Frequently Asked Questions

What is the IUPAC name of 1-pent-4-enoxy-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene?
The IUPAC name of 1-pent-4-enoxy-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene (CID 176899798) is 1-pent-4-enoxy-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene.
What is the SMILES notation for 1-pent-4-enoxy-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene?
The canonical SMILES for 1-pent-4-enoxy-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene is C=CCCCOc1ccc(C(=C)C(F)(F)F)cc1.
What is the InChIKey of 1-pent-4-enoxy-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene?
The InChIKey is LRXZLFHTYCEZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O/c1-3-4-5-10-18-13-8-6-12(7-9-13)11(2)14(15,16)17/h3,6-9H,1-2,4-5,10H2.
What are the key properties of 1-pent-4-enoxy-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene?
1-pent-4-enoxy-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene has a molecular weight of 256.27 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-enoxy-4-(3,3,3-trifluoroprop-1-en-2-yl)benzene is sourced from PubChem (CID 176899798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).