(2Z)-1-(cyclopropen-1-yl)-2-(cyclopropylmethylidene)-3-(3-fluoro-4-methylpent-4-en-2-yl)cyclopropane

C16H21F — CID 163455886

IUPAC(2Z)-1-(cyclopropen-1-yl)-2-(cyclopropylmethylidene)-3-(3-fluoro-4-methylpent-4-en-2-yl)cyclopropane
SMILESC=C(C)C(F)C(C)C1/C(=C/C2CC2)C1C1=CC1
InChIInChI=1S/C16H21F/c1-9(2)16(17)10(3)14-13(8-11-4-5-11)15(14)12-6-7-12/h6,8,10-11,14-16H,1,4-5,7H2,2-3H3/b13-8-
InChIKeyBKLBFIZSUOJZNT-JYRVWZFOSA-N
MW232.34 g/mol
LogP4.45
Rot. Bonds5

About (2Z)-1-(cyclopropen-1-yl)-2-(cyclopropylmethylidene)-3-(3-fluoro-4-methylpent-4-en-2-yl)cyclopropane

(2Z)-1-(cyclopropen-1-yl)-2-(cyclopropylmethylidene)-3-(3-fluoro-4-methylpent-4-en-2-yl)cyclopropane (PubChem CID 163455886) has the molecular formula C16H21F and a molecular weight of 232.34 g/mol. Its IUPAC name is (2Z)-1-(cyclopropen-1-yl)-2-(cyclopropylmethylidene)-3-(3-fluoro-4-methylpent-4-en-2-yl)cyclopropane.

Molecular Properties

Compound Name(2Z)-1-(cyclopropen-1-yl)-2-(cyclopropylmethylidene)-3-(3-fluoro-4-methylpent-4-en-2-yl)cyclopropane
PubChem CID163455886
Molecular FormulaC16H21F
Molecular Weight232.34 g/mol
Exact Mass232.16
IUPAC Name(2Z)-1-(cyclopropen-1-yl)-2-(cyclopropylmethylidene)-3-(3-fluoro-4-methylpent-4-en-2-yl)cyclopropane
SMILESC=C(C)C(F)C(C)C1/C(=C/C2CC2)C1C1=CC1
InChIInChI=1S/C16H21F/c1-9(2)16(17)10(3)14-13(8-11-4-5-11)15(14)12-6-7-12/h6,8,10-11,14-16H,1,4-5,7H2,2-3H3/b13-8-
InChIKeyBKLBFIZSUOJZNT-JYRVWZFOSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-1-(cyclopropen-1-yl)-2-(cyclopropylmethylidene)-3-(3-fluoro-4-methylpent-4-en-2-yl)cyclopropane?
The IUPAC name of (2Z)-1-(cyclopropen-1-yl)-2-(cyclopropylmethylidene)-3-(3-fluoro-4-methylpent-4-en-2-yl)cyclopropane (CID 163455886) is (2Z)-1-(cyclopropen-1-yl)-2-(cyclopropylmethylidene)-3-(3-fluoro-4-methylpent-4-en-2-yl)cyclopropane.
What is the SMILES notation for (2Z)-1-(cyclopropen-1-yl)-2-(cyclopropylmethylidene)-3-(3-fluoro-4-methylpent-4-en-2-yl)cyclopropane?
The canonical SMILES for (2Z)-1-(cyclopropen-1-yl)-2-(cyclopropylmethylidene)-3-(3-fluoro-4-methylpent-4-en-2-yl)cyclopropane is C=C(C)C(F)C(C)C1/C(=C/C2CC2)C1C1=CC1.
What is the InChIKey of (2Z)-1-(cyclopropen-1-yl)-2-(cyclopropylmethylidene)-3-(3-fluoro-4-methylpent-4-en-2-yl)cyclopropane?
The InChIKey is BKLBFIZSUOJZNT-JYRVWZFOSA-N. The full InChI is InChI=1S/C16H21F/c1-9(2)16(17)10(3)14-13(8-11-4-5-11)15(14)12-6-7-12/h6,8,10-11,14-16H,1,4-5,7H2,2-3H3/b13-8-.
What are the key properties of (2Z)-1-(cyclopropen-1-yl)-2-(cyclopropylmethylidene)-3-(3-fluoro-4-methylpent-4-en-2-yl)cyclopropane?
(2Z)-1-(cyclopropen-1-yl)-2-(cyclopropylmethylidene)-3-(3-fluoro-4-methylpent-4-en-2-yl)cyclopropane has a molecular weight of 232.34 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-(cyclopropen-1-yl)-2-(cyclopropylmethylidene)-3-(3-fluoro-4-methylpent-4-en-2-yl)cyclopropane is sourced from PubChem (CID 163455886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).