4-chloro-2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C9H8ClF3N2 — CID 61392950

IUPAC4-chloro-2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESFC(F)(F)Cc1nc(Cl)c2c(n1)CCC2
InChIInChI=1S/C9H8ClF3N2/c10-8-5-2-1-3-6(5)14-7(15-8)4-9(11,12)13/h1-4H2
InChIKeyNSKNLSMKTZYJRQ-UHFFFAOYSA-N
MW236.62 g/mol
LogP2.72
Rot. Bonds1

About 4-chloro-2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-chloro-2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 61392950) has the molecular formula C9H8ClF3N2 and a molecular weight of 236.62 g/mol. Its IUPAC name is 4-chloro-2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID61392950
Molecular FormulaC9H8ClF3N2
Molecular Weight236.62 g/mol
Exact Mass236.03
IUPAC Name4-chloro-2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESFC(F)(F)Cc1nc(Cl)c2c(n1)CCC2
InChIInChI=1S/C9H8ClF3N2/c10-8-5-2-1-3-6(5)14-7(15-8)4-9(11,12)13/h1-4H2
InChIKeyNSKNLSMKTZYJRQ-UHFFFAOYSA-N
XLogP2.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.62
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(2,2-dimethylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 63891705
1-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N,N-dimethylmethanamine
CID 79078275
N-ethyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191642
2-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N,N-dimethylethanamine
CID 115345603
4-chloro-2-(2,2,3,3-tetrafluoropropoxymethyl)-5,6,7,8-tetrahydroquinazoline
CID 103473539
4-chloro-2-[(4-chlorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 61382087
4-chloro-2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline
CID 61382204
4-chloro-2-[(3,5-dimethylphenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63405761
4-chloro-2-(2-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63350986
4-chloro-2-[(3,4-dimethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 55131237
4-chloro-2-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 61382080
4-chloro-2-[(2-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63350942

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-chloro-2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 61392950) is 4-chloro-2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-chloro-2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is FC(F)(F)Cc1nc(Cl)c2c(n1)CCC2.
What is the InChIKey of 4-chloro-2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is NSKNLSMKTZYJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2/c10-8-5-2-1-3-6(5)14-7(15-8)4-9(11,12)13/h1-4H2.
What are the key properties of 4-chloro-2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-chloro-2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 236.62 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 61392950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).