(2R)-2-(4-fluorophenyl)-1-[[(1S)-4-(4-fluorophenyl)cyclohex-3-en-1-yl]amino]propan-2-ol

C21H23F2NO — CID 97261465

IUPAC(2R)-2-(4-fluorophenyl)-1-[[(1S)-4-(4-fluorophenyl)cyclohex-3-en-1-yl]amino]propan-2-ol
SMILESC[C@](O)(CN[C@@H]1CC=C(c2ccc(F)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H23F2NO/c1-21(25,17-6-10-19(23)11-7-17)14-24-20-12-4-16(5-13-20)15-2-8-18(22)9-3-15/h2-4,6-11,20,24-25H,5,12-14H2,1H3/t20-,21+/m1/s1
InChIKeyDTQBCYIHDQFTNM-RTWAWAEBSA-N
MW343.42 g/mol
LogP4.40
Rot. Bonds5

About (2R)-2-(4-fluorophenyl)-1-[[(1S)-4-(4-fluorophenyl)cyclohex-3-en-1-yl]amino]propan-2-ol

(2R)-2-(4-fluorophenyl)-1-[[(1S)-4-(4-fluorophenyl)cyclohex-3-en-1-yl]amino]propan-2-ol (PubChem CID 97261465) has the molecular formula C21H23F2NO and a molecular weight of 343.42 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-1-[[(1S)-4-(4-fluorophenyl)cyclohex-3-en-1-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-1-[[(1S)-4-(4-fluorophenyl)cyclohex-3-en-1-yl]amino]propan-2-ol
PubChem CID97261465
Molecular FormulaC21H23F2NO
Molecular Weight343.42 g/mol
Exact Mass343.17
IUPAC Name(2R)-2-(4-fluorophenyl)-1-[[(1S)-4-(4-fluorophenyl)cyclohex-3-en-1-yl]amino]propan-2-ol
SMILESC[C@](O)(CN[C@@H]1CC=C(c2ccc(F)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H23F2NO/c1-21(25,17-6-10-19(23)11-7-17)14-24-20-12-4-16(5-13-20)15-2-8-18(22)9-3-15/h2-4,6-11,20,24-25H,5,12-14H2,1H3/t20-,21+/m1/s1
InChIKeyDTQBCYIHDQFTNM-RTWAWAEBSA-N
XLogP4.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-1-[[(1S)-4-(4-fluorophenyl)cyclohex-3-en-1-yl]amino]propan-2-ol?
The IUPAC name of (2R)-2-(4-fluorophenyl)-1-[[(1S)-4-(4-fluorophenyl)cyclohex-3-en-1-yl]amino]propan-2-ol (CID 97261465) is (2R)-2-(4-fluorophenyl)-1-[[(1S)-4-(4-fluorophenyl)cyclohex-3-en-1-yl]amino]propan-2-ol.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-1-[[(1S)-4-(4-fluorophenyl)cyclohex-3-en-1-yl]amino]propan-2-ol?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-1-[[(1S)-4-(4-fluorophenyl)cyclohex-3-en-1-yl]amino]propan-2-ol is C[C@](O)(CN[C@@H]1CC=C(c2ccc(F)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-1-[[(1S)-4-(4-fluorophenyl)cyclohex-3-en-1-yl]amino]propan-2-ol?
The InChIKey is DTQBCYIHDQFTNM-RTWAWAEBSA-N. The full InChI is InChI=1S/C21H23F2NO/c1-21(25,17-6-10-19(23)11-7-17)14-24-20-12-4-16(5-13-20)15-2-8-18(22)9-3-15/h2-4,6-11,20,24-25H,5,12-14H2,1H3/t20-,21+/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-1-[[(1S)-4-(4-fluorophenyl)cyclohex-3-en-1-yl]amino]propan-2-ol?
(2R)-2-(4-fluorophenyl)-1-[[(1S)-4-(4-fluorophenyl)cyclohex-3-en-1-yl]amino]propan-2-ol has a molecular weight of 343.42 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-1-[[(1S)-4-(4-fluorophenyl)cyclohex-3-en-1-yl]amino]propan-2-ol is sourced from PubChem (CID 97261465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).