(3,4-dichloro-5-fluorophenyl)-(2-propylpyrrolidin-2-yl)methanol

C14H18Cl2FNO — CID 66679081

IUPAC(3,4-dichloro-5-fluorophenyl)-(2-propylpyrrolidin-2-yl)methanol
SMILESCCCC1(C(O)c2cc(F)c(Cl)c(Cl)c2)CCCN1
InChIInChI=1S/C14H18Cl2FNO/c1-2-4-14(5-3-6-18-14)13(19)9-7-10(15)12(16)11(17)8-9/h7-8,13,18-19H,2-6H2,1H3
InChIKeySKTSWPUSKCSITD-UHFFFAOYSA-N
MW306.21 g/mol
LogP4.09
Rot. Bonds4

About (3,4-dichloro-5-fluorophenyl)-(2-propylpyrrolidin-2-yl)methanol

(3,4-dichloro-5-fluorophenyl)-(2-propylpyrrolidin-2-yl)methanol (PubChem CID 66679081) has the molecular formula C14H18Cl2FNO and a molecular weight of 306.21 g/mol. Its IUPAC name is (3,4-dichloro-5-fluorophenyl)-(2-propylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(3,4-dichloro-5-fluorophenyl)-(2-propylpyrrolidin-2-yl)methanol
PubChem CID66679081
Molecular FormulaC14H18Cl2FNO
Molecular Weight306.21 g/mol
Exact Mass305.07
IUPAC Name(3,4-dichloro-5-fluorophenyl)-(2-propylpyrrolidin-2-yl)methanol
SMILESCCCC1(C(O)c2cc(F)c(Cl)c(Cl)c2)CCCN1
InChIInChI=1S/C14H18Cl2FNO/c1-2-4-14(5-3-6-18-14)13(19)9-7-10(15)12(16)11(17)8-9/h7-8,13,18-19H,2-6H2,1H3
InChIKeySKTSWPUSKCSITD-UHFFFAOYSA-N
XLogP4.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichloro-5-fluorophenyl)-(2-propylpyrrolidin-2-yl)methanol?
The IUPAC name of (3,4-dichloro-5-fluorophenyl)-(2-propylpyrrolidin-2-yl)methanol (CID 66679081) is (3,4-dichloro-5-fluorophenyl)-(2-propylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (3,4-dichloro-5-fluorophenyl)-(2-propylpyrrolidin-2-yl)methanol?
The canonical SMILES for (3,4-dichloro-5-fluorophenyl)-(2-propylpyrrolidin-2-yl)methanol is CCCC1(C(O)c2cc(F)c(Cl)c(Cl)c2)CCCN1.
What is the InChIKey of (3,4-dichloro-5-fluorophenyl)-(2-propylpyrrolidin-2-yl)methanol?
The InChIKey is SKTSWPUSKCSITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2FNO/c1-2-4-14(5-3-6-18-14)13(19)9-7-10(15)12(16)11(17)8-9/h7-8,13,18-19H,2-6H2,1H3.
What are the key properties of (3,4-dichloro-5-fluorophenyl)-(2-propylpyrrolidin-2-yl)methanol?
(3,4-dichloro-5-fluorophenyl)-(2-propylpyrrolidin-2-yl)methanol has a molecular weight of 306.21 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichloro-5-fluorophenyl)-(2-propylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 66679081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).