2-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine

C7H7F3N2 — CID 68761664

IUPAC2-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine
SMILESC[C@H](c1ncccn1)C(F)(F)F
InChIInChI=1S/C7H7F3N2/c1-5(7(8,9)10)6-11-3-2-4-12-6/h2-5H,1H3/t5-/m1/s1
InChIKeyBKJJPOICEBQDOX-RXMQYKEDSA-N
MW176.14 g/mol
LogP2.14
Rot. Bonds1

About 2-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine

2-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine (PubChem CID 68761664) has the molecular formula C7H7F3N2 and a molecular weight of 176.14 g/mol. Its IUPAC name is 2-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine.

Molecular Properties

Compound Name2-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine
PubChem CID68761664
Molecular FormulaC7H7F3N2
Molecular Weight176.14 g/mol
Exact Mass176.06
IUPAC Name2-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine
SMILESC[C@H](c1ncccn1)C(F)(F)F
InChIInChI=1S/C7H7F3N2/c1-5(7(8,9)10)6-11-3-2-4-12-6/h2-5H,1H3/t5-/m1/s1
InChIKeyBKJJPOICEBQDOX-RXMQYKEDSA-N
XLogP2.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

fluoromethane;2-propan-2-ylpyrimidine
CID 161216719
2-(3-methylbutan-2-yl)pyrimidine
CID 139342310
(1R)-1-pyrimidin-2-ylethanamine;hydrochloride
CID 146680703
2-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-carboxamide
CID 140528330
2-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine
CID 166470570
2-(1,1-difluoro-2-methylpropoxy)pyrimidine
CID 57294335
2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 59735101
2-(1,1-difluoro-2-methylpropyl)pyridine
CID 116841481
3-pyrimidin-2-ylbutan-2-one
CID 63197013
(1R,2R)-2-amino-1-pyrimidin-2-ylpropan-1-ol
CID 130900174
2-(1-methylsulfanylpropan-2-yl)pyrimidine
CID 66920835
2-amino-1-pyrimidin-2-ylpropan-1-ol
CID 130985791

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine?
The IUPAC name of 2-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine (CID 68761664) is 2-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine.
What is the SMILES notation for 2-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine?
The canonical SMILES for 2-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine is C[C@H](c1ncccn1)C(F)(F)F.
What is the InChIKey of 2-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine?
The InChIKey is BKJJPOICEBQDOX-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H7F3N2/c1-5(7(8,9)10)6-11-3-2-4-12-6/h2-5H,1H3/t5-/m1/s1.
What are the key properties of 2-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine?
2-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine has a molecular weight of 176.14 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine is sourced from PubChem (CID 68761664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).