CID 164672054

C9H14F2N — CID 164672054

IUPAC—
SMILESC[CH]/C=C/N1CC(F)(F)C[C@H]1C
InChIInChI=1S/C9H14F2N/c1-3-4-5-12-7-9(10,11)6-8(12)2/h3-5,8H,6-7H2,1-2H3/b5-4+/t8-/m1/s1
InChIKeyUPAHCWSNUHXCER-WTSVBCDHSA-N
MW174.21 g/mol
LogP2.45
Rot. Bonds2

About CID 164672054

CID 164672054 (PubChem CID 164672054) has the molecular formula C9H14F2N and a molecular weight of 174.21 g/mol.

Molecular Properties

Compound NameCID 164672054
PubChem CID164672054
Molecular FormulaC9H14F2N
Molecular Weight174.21 g/mol
Exact Mass174.11
IUPAC Name—
SMILESC[CH]/C=C/N1CC(F)(F)C[C@H]1C
InChIInChI=1S/C9H14F2N/c1-3-4-5-12-7-9(10,11)6-8(12)2/h3-5,8H,6-7H2,1-2H3/b5-4+/t8-/m1/s1
InChIKeyUPAHCWSNUHXCER-WTSVBCDHSA-N
XLogP2.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-4,4-difluoro-2-methyl-1-[(E,3S)-3-methylpent-1-enyl]pyrrolidine
CID 162404797
N-1-pentenyl-2-methylpyrrolidine
CID 129868752
2-(1,1-Difluoroprop-2-enyl)-1-methylpyrrolidine
CID 143553468
1-Prop-1-en-2-yl-2-(trifluoromethyl)pyrrolidine
CID 164168515
1-Ethenyl-2-ethyl-3,3-difluoropyrrolidine
CID 166810498
2-Ethenyl-3,3-difluoro-1-methylpyrrolidine
CID 169182565
(2R)-1-[(E)-hex-1-enyl]-2-methylpyrrolidine
CID 134843998
(2R)-1-[(E)-but-1-enyl]-2-methylpyrrolidine
CID 134958318
(2R)-2-methyl-1-[(E)-prop-1-enyl]pyrrolidine
CID 135044179
(2S)-1-[(E)-but-1-enyl]-2-methylpyrrolidine
CID 146165228
1-But-3-en-2-yl-3,3-difluoropyrrolidine
CID 130736637
(2R)-1-ethenyl-4,4-difluoro-2-methylpyrrolidine
CID 143472764

Frequently Asked Questions

What is the IUPAC name of CID 164672054?
The IUPAC name of CID 164672054 (CID 164672054) is not available.
What is the SMILES notation for CID 164672054?
The canonical SMILES for CID 164672054 is C[CH]/C=C/N1CC(F)(F)C[C@H]1C.
What is the InChIKey of CID 164672054?
The InChIKey is UPAHCWSNUHXCER-WTSVBCDHSA-N. The full InChI is InChI=1S/C9H14F2N/c1-3-4-5-12-7-9(10,11)6-8(12)2/h3-5,8H,6-7H2,1-2H3/b5-4+/t8-/m1/s1.
What are the key properties of CID 164672054?
CID 164672054 has a molecular weight of 174.21 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164672054 is sourced from PubChem (CID 164672054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).