2,4-dichloro-5-[1-(trifluoromethyl)cyclopropyl]pyrimidine

C8H5Cl2F3N2 — CID 166636813

IUPAC2,4-dichloro-5-[1-(trifluoromethyl)cyclopropyl]pyrimidine
SMILESFC(F)(F)C1(c2cnc(Cl)nc2Cl)CC1
InChIInChI=1S/C8H5Cl2F3N2/c9-5-4(3-14-6(10)15-5)7(1-2-7)8(11,12)13/h3H,1-2H2
InChIKeyBNPQHHAWBOBXSY-UHFFFAOYSA-N
MW257.04 g/mol
LogP3.38
Rot. Bonds1

About 2,4-dichloro-5-[1-(trifluoromethyl)cyclopropyl]pyrimidine

2,4-dichloro-5-[1-(trifluoromethyl)cyclopropyl]pyrimidine (PubChem CID 166636813) has the molecular formula C8H5Cl2F3N2 and a molecular weight of 257.04 g/mol. Its IUPAC name is 2,4-dichloro-5-[1-(trifluoromethyl)cyclopropyl]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-[1-(trifluoromethyl)cyclopropyl]pyrimidine
PubChem CID166636813
Molecular FormulaC8H5Cl2F3N2
Molecular Weight257.04 g/mol
Exact Mass255.98
IUPAC Name2,4-dichloro-5-[1-(trifluoromethyl)cyclopropyl]pyrimidine
SMILESFC(F)(F)C1(c2cnc(Cl)nc2Cl)CC1
InChIInChI=1S/C8H5Cl2F3N2/c9-5-4(3-14-6(10)15-5)7(1-2-7)8(11,12)13/h3H,1-2H2
InChIKeyBNPQHHAWBOBXSY-UHFFFAOYSA-N
XLogP3.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.04
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-3-[1-(trifluoromethyl)cyclopropyl]pyridine
CID 166636810
1-(2,4-dichloropyrimidin-5-yl)-4,4,4-trifluorobutan-1-one
CID 161476280
[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]methanol
CID 129319053
2-chloro-5-(2,2,2-trifluoroethyl)spiro[6,8-dihydropteridine-7,1'-cyclobutane]-6-ol
CID 123585967
2,4-dichloro-5-(2-fluoroethyl)pyrimidine
CID 83854274
2-chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride
CID 2736708
2-chloro-8-methyl-5-(2,2,2-trifluoroethyl)spiro[6H-pteridine-7,1'-cyclobutane]-6-ol
CID 123520023
4-bromo-8-[1-(trifluoromethyl)cyclobutyl]-1,5-naphthyridine
CID 166636824
2-chloro-6-[1-(trifluoromethyl)cyclopropyl]benzoic acid
CID 122458061
5-bromo-2-chloro-4-methylpyrimidine;5-bromo-2,4-dichloropyrimidine
CID 159405542
(2,4-dichloropyrimidin-5-yl)carbamic acid
CID 118393438
2,5-dichloro-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 79632100

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[1-(trifluoromethyl)cyclopropyl]pyrimidine?
The IUPAC name of 2,4-dichloro-5-[1-(trifluoromethyl)cyclopropyl]pyrimidine (CID 166636813) is 2,4-dichloro-5-[1-(trifluoromethyl)cyclopropyl]pyrimidine.
What is the SMILES notation for 2,4-dichloro-5-[1-(trifluoromethyl)cyclopropyl]pyrimidine?
The canonical SMILES for 2,4-dichloro-5-[1-(trifluoromethyl)cyclopropyl]pyrimidine is FC(F)(F)C1(c2cnc(Cl)nc2Cl)CC1.
What is the InChIKey of 2,4-dichloro-5-[1-(trifluoromethyl)cyclopropyl]pyrimidine?
The InChIKey is BNPQHHAWBOBXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2F3N2/c9-5-4(3-14-6(10)15-5)7(1-2-7)8(11,12)13/h3H,1-2H2.
What are the key properties of 2,4-dichloro-5-[1-(trifluoromethyl)cyclopropyl]pyrimidine?
2,4-dichloro-5-[1-(trifluoromethyl)cyclopropyl]pyrimidine has a molecular weight of 257.04 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[1-(trifluoromethyl)cyclopropyl]pyrimidine is sourced from PubChem (CID 166636813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).