2-(3-chloro-2,2,3,3-tetrafluoropropyl)pyrimidine

C7H5ClF4N2 — CID 175613693

IUPAC2-(3-chloro-2,2,3,3-tetrafluoropropyl)pyrimidine
SMILESFC(F)(Cl)C(F)(F)Cc1ncccn1
InChIInChI=1S/C7H5ClF4N2/c8-7(11,12)6(9,10)4-5-13-2-1-3-14-5/h1-3H,4H2
InChIKeyPMAIENNYTCPLGO-UHFFFAOYSA-N
MW228.58 g/mol
LogP2.49
Rot. Bonds3

About 2-(3-chloro-2,2,3,3-tetrafluoropropyl)pyrimidine

2-(3-chloro-2,2,3,3-tetrafluoropropyl)pyrimidine (PubChem CID 175613693) has the molecular formula C7H5ClF4N2 and a molecular weight of 228.58 g/mol. Its IUPAC name is 2-(3-chloro-2,2,3,3-tetrafluoropropyl)pyrimidine.

Molecular Properties

Compound Name2-(3-chloro-2,2,3,3-tetrafluoropropyl)pyrimidine
PubChem CID175613693
Molecular FormulaC7H5ClF4N2
Molecular Weight228.58 g/mol
Exact Mass228.01
IUPAC Name2-(3-chloro-2,2,3,3-tetrafluoropropyl)pyrimidine
SMILESFC(F)(Cl)C(F)(F)Cc1ncccn1
InChIInChI=1S/C7H5ClF4N2/c8-7(11,12)6(9,10)4-5-13-2-1-3-14-5/h1-3H,4H2
InChIKeyPMAIENNYTCPLGO-UHFFFAOYSA-N
XLogP2.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.58
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-trifluoro-N-(pyrimidin-2-ylmethyl)propan-1-amine
CID 63226377
pyrimidin-2-ylmethanol
CID 2763024
2-(1,1-difluoroprop-2-ynoxy)pyrimidine
CID 57041713
1-(3-chloro-2-pyridinyl)-2-methylpropan-2-ol
CID 90923258
4-N-methyl-4-N-(pyrimidin-2-ylmethyl)benzene-1,4-diamine
CID 62699938
2-(6-chlorohexyl)pyrimidine
CID 19872177
2-(3-fluoroprop-2-enyl)pyrimidine
CID 70433031
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
2-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine
CID 68630973
3-amino-2-methyl-3-oxo-2-(pyrimidin-2-ylmethyl)propanoic acid
CID 114899957
2-(aminomethyl)-4-methyl-2-(pyrimidin-2-ylmethyl)pentanoic acid
CID 106489036
ethane;pyrimidin-2-ylmethanol
CID 143639944

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2,2,3,3-tetrafluoropropyl)pyrimidine?
The IUPAC name of 2-(3-chloro-2,2,3,3-tetrafluoropropyl)pyrimidine (CID 175613693) is 2-(3-chloro-2,2,3,3-tetrafluoropropyl)pyrimidine.
What is the SMILES notation for 2-(3-chloro-2,2,3,3-tetrafluoropropyl)pyrimidine?
The canonical SMILES for 2-(3-chloro-2,2,3,3-tetrafluoropropyl)pyrimidine is FC(F)(Cl)C(F)(F)Cc1ncccn1.
What is the InChIKey of 2-(3-chloro-2,2,3,3-tetrafluoropropyl)pyrimidine?
The InChIKey is PMAIENNYTCPLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF4N2/c8-7(11,12)6(9,10)4-5-13-2-1-3-14-5/h1-3H,4H2.
What are the key properties of 2-(3-chloro-2,2,3,3-tetrafluoropropyl)pyrimidine?
2-(3-chloro-2,2,3,3-tetrafluoropropyl)pyrimidine has a molecular weight of 228.58 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2,2,3,3-tetrafluoropropyl)pyrimidine is sourced from PubChem (CID 175613693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).