(3-tert-butylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone

C15H19ClFNO — CID 113415072

IUPAC(3-tert-butylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone
SMILESCC(C)(C)C1CCN(C(=O)c2cc(Cl)ccc2F)C1
InChIInChI=1S/C15H19ClFNO/c1-15(2,3)10-6-7-18(9-10)14(19)12-8-11(16)4-5-13(12)17/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyQFYOHOPAZKPCQB-UHFFFAOYSA-N
MW283.77 g/mol
LogP3.99
Rot. Bonds1

About (3-tert-butylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone

(3-tert-butylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone (PubChem CID 113415072) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is (3-tert-butylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-tert-butylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone
PubChem CID113415072
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC Name(3-tert-butylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone
SMILESCC(C)(C)C1CCN(C(=O)c2cc(Cl)ccc2F)C1
InChIInChI=1S/C15H19ClFNO/c1-15(2,3)10-6-7-18(9-10)14(19)12-8-11(16)4-5-13(12)17/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyQFYOHOPAZKPCQB-UHFFFAOYSA-N
XLogP3.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61224266
(5-chloro-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63165270
(5-chloro-2-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 60674863
(5-chloro-2-fluorophenyl)-[3-(chloromethyl)pyrrolidin-1-yl]methanone
CID 63396090
(5-chloro-2-fluorophenyl)-(3-chloropiperidin-1-yl)methanone
CID 55187226
(5-chloro-2-fluorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150855
(3-tert-butylpyrrolidin-1-yl)-(2,6-dichloro-4-pyridinyl)methanone
CID 113415062
(5-chloro-2-fluorophenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 61150797
(5-chloro-2-fluorophenyl)-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
CID 72912955
[4-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119519531
[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 47067209
(5-bromo-2-chloro-3-pyridinyl)-(3-tert-butylpyrrolidin-1-yl)methanone
CID 113415056

Frequently Asked Questions

What is the IUPAC name of (3-tert-butylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone?
The IUPAC name of (3-tert-butylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone (CID 113415072) is (3-tert-butylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone.
What is the SMILES notation for (3-tert-butylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone?
The canonical SMILES for (3-tert-butylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone is CC(C)(C)C1CCN(C(=O)c2cc(Cl)ccc2F)C1.
What is the InChIKey of (3-tert-butylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone?
The InChIKey is QFYOHOPAZKPCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO/c1-15(2,3)10-6-7-18(9-10)14(19)12-8-11(16)4-5-13(12)17/h4-5,8,10H,6-7,9H2,1-3H3.
What are the key properties of (3-tert-butylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone?
(3-tert-butylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone has a molecular weight of 283.77 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone is sourced from PubChem (CID 113415072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).