2-[4-(dimethylamino)-4-methylcyclohexen-1-yl]-3-fluorobenzaldehyde

C16H20FNO — CID 165486006

IUPAC2-[4-(dimethylamino)-4-methylcyclohexen-1-yl]-3-fluorobenzaldehyde
SMILESCN(C)C1(C)CC=C(c2c(F)cccc2C=O)CC1
InChIInChI=1S/C16H20FNO/c1-16(18(2)3)9-7-12(8-10-16)15-13(11-19)5-4-6-14(15)17/h4-7,11H,8-10H2,1-3H3
InChIKeyUWMLWHUHZRBBCZ-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.53
Rot. Bonds3

About 2-[4-(dimethylamino)-4-methylcyclohexen-1-yl]-3-fluorobenzaldehyde

2-[4-(dimethylamino)-4-methylcyclohexen-1-yl]-3-fluorobenzaldehyde (PubChem CID 165486006) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-4-methylcyclohexen-1-yl]-3-fluorobenzaldehyde.

Molecular Properties

Compound Name2-[4-(dimethylamino)-4-methylcyclohexen-1-yl]-3-fluorobenzaldehyde
PubChem CID165486006
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name2-[4-(dimethylamino)-4-methylcyclohexen-1-yl]-3-fluorobenzaldehyde
SMILESCN(C)C1(C)CC=C(c2c(F)cccc2C=O)CC1
InChIInChI=1S/C16H20FNO/c1-16(18(2)3)9-7-12(8-10-16)15-13(11-19)5-4-6-14(15)17/h4-7,11H,8-10H2,1-3H3
InChIKeyUWMLWHUHZRBBCZ-UHFFFAOYSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-4-methylcyclohexen-1-yl]-3-fluorobenzaldehyde?
The IUPAC name of 2-[4-(dimethylamino)-4-methylcyclohexen-1-yl]-3-fluorobenzaldehyde (CID 165486006) is 2-[4-(dimethylamino)-4-methylcyclohexen-1-yl]-3-fluorobenzaldehyde.
What is the SMILES notation for 2-[4-(dimethylamino)-4-methylcyclohexen-1-yl]-3-fluorobenzaldehyde?
The canonical SMILES for 2-[4-(dimethylamino)-4-methylcyclohexen-1-yl]-3-fluorobenzaldehyde is CN(C)C1(C)CC=C(c2c(F)cccc2C=O)CC1.
What is the InChIKey of 2-[4-(dimethylamino)-4-methylcyclohexen-1-yl]-3-fluorobenzaldehyde?
The InChIKey is UWMLWHUHZRBBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c1-16(18(2)3)9-7-12(8-10-16)15-13(11-19)5-4-6-14(15)17/h4-7,11H,8-10H2,1-3H3.
What are the key properties of 2-[4-(dimethylamino)-4-methylcyclohexen-1-yl]-3-fluorobenzaldehyde?
2-[4-(dimethylamino)-4-methylcyclohexen-1-yl]-3-fluorobenzaldehyde has a molecular weight of 261.34 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-4-methylcyclohexen-1-yl]-3-fluorobenzaldehyde is sourced from PubChem (CID 165486006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).