(1Z,3E,5Z)-3-chloro-1,2-difluoro-5-propan-2-ylhepta-1,3,5-triene

C10H13ClF2 — CID 175632174

IUPAC(1Z,3E,5Z)-3-chloro-1,2-difluoro-5-propan-2-ylhepta-1,3,5-triene
SMILESC/C=C(\C=C(Cl)/C(F)=C/F)C(C)C
InChIInChI=1S/C10H13ClF2/c1-4-8(7(2)3)5-9(11)10(13)6-12/h4-7H,1-3H3/b8-4+,9-5+,10-6-
InChIKeyWBAKTVQTWOXETC-ALDZRQEWSA-N
MW206.66 g/mol
LogP4.49
Rot. Bonds3

About (1Z,3E,5Z)-3-chloro-1,2-difluoro-5-propan-2-ylhepta-1,3,5-triene

(1Z,3E,5Z)-3-chloro-1,2-difluoro-5-propan-2-ylhepta-1,3,5-triene (PubChem CID 175632174) has the molecular formula C10H13ClF2 and a molecular weight of 206.66 g/mol. Its IUPAC name is (1Z,3E,5Z)-3-chloro-1,2-difluoro-5-propan-2-ylhepta-1,3,5-triene.

Molecular Properties

Compound Name(1Z,3E,5Z)-3-chloro-1,2-difluoro-5-propan-2-ylhepta-1,3,5-triene
PubChem CID175632174
Molecular FormulaC10H13ClF2
Molecular Weight206.66 g/mol
Exact Mass206.07
IUPAC Name(1Z,3E,5Z)-3-chloro-1,2-difluoro-5-propan-2-ylhepta-1,3,5-triene
SMILESC/C=C(\C=C(Cl)/C(F)=C/F)C(C)C
InChIInChI=1S/C10H13ClF2/c1-4-8(7(2)3)5-9(11)10(13)6-12/h4-7H,1-3H3/b8-4+,9-5+,10-6-
InChIKeyWBAKTVQTWOXETC-ALDZRQEWSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.66
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E,5Z)-3-chloro-1,2-difluoro-5-propan-2-ylhepta-1,3,5-triene?
The IUPAC name of (1Z,3E,5Z)-3-chloro-1,2-difluoro-5-propan-2-ylhepta-1,3,5-triene (CID 175632174) is (1Z,3E,5Z)-3-chloro-1,2-difluoro-5-propan-2-ylhepta-1,3,5-triene.
What is the SMILES notation for (1Z,3E,5Z)-3-chloro-1,2-difluoro-5-propan-2-ylhepta-1,3,5-triene?
The canonical SMILES for (1Z,3E,5Z)-3-chloro-1,2-difluoro-5-propan-2-ylhepta-1,3,5-triene is C/C=C(\C=C(Cl)/C(F)=C/F)C(C)C.
What is the InChIKey of (1Z,3E,5Z)-3-chloro-1,2-difluoro-5-propan-2-ylhepta-1,3,5-triene?
The InChIKey is WBAKTVQTWOXETC-ALDZRQEWSA-N. The full InChI is InChI=1S/C10H13ClF2/c1-4-8(7(2)3)5-9(11)10(13)6-12/h4-7H,1-3H3/b8-4+,9-5+,10-6-.
What are the key properties of (1Z,3E,5Z)-3-chloro-1,2-difluoro-5-propan-2-ylhepta-1,3,5-triene?
(1Z,3E,5Z)-3-chloro-1,2-difluoro-5-propan-2-ylhepta-1,3,5-triene has a molecular weight of 206.66 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,5Z)-3-chloro-1,2-difluoro-5-propan-2-ylhepta-1,3,5-triene is sourced from PubChem (CID 175632174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).